(4E)-4-[[(5-methyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-2-[[(3E)-3-[[(5-methyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-(4-phenylpiperidin-1-yl)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[[(5-methyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-2-[[(3E)-3-[[(5-methyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-(4-phenylpiperidin-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[[(5-methyltetrazol-1-yl)amino]methylene]-2-[[(3E)-3-[[(5-methyltetrazol-1-yl)amino]methylene]-6-oxo-cyclohexa-1,4-dien-1-yl]-(4-phenyl-1-piperidyl)methyl]cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[[(5-methyl-1-tetrazolyl)amino]methylidene]-2-[[(3E)-3-[[(5-methyl-1-tetrazolyl)amino]methylidene]-6-oxo-1-cyclohexa-1,4-dienyl]-(4-phenyl-1-piperidinyl)methyl]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[[(5-methyltetrazol-1-yl)amino]methylidene]-2-[[(3E)-3-[[(5-methyltetrazol-1-yl)amino]methylidene]-6-oxocyclohexa-1,4-dien-1-yl]-(4-phenylpiperidin-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-[[(3E)-6-keto-3-[[(5-methyltetrazol-1-yl)amino]methylene]cyclohexa-1,4-dien-1-yl]-(4-phenylpiperidino)methyl]-4-[[(5-methyltetrazol-1-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C30H31N11O2 MolecularWeight: 577.63964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=NN1NC=C2C=CC(=O)C(=C2)C(C3=CC(=CNN4C(=NN=N4)C)C=CC3=O)N5CCC(CC5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN=NN1N/C=C\2/C=C(C(=O)C=C2)C(N3CCC(CC3)C4=CC=CC=C4)C5=C/C(=C/NN6N=NN=C6C)/C=CC5=O

InChI

InChI=1S/C30H31N11O2/c1-20-33-35-37-40(20)31-18-22-8-10-28(42)26(16-22)30(39-14-12-25(13-15-39)24-6-4-3-5-7-24)27-17-23(9-11-29(27)43)19-32-41-21(2)34-36-38-41/h3-11,16-19,25,30-32H,12-15H2,1-2H3/b22-18+,23-19+