4-(2-methyl-1H-quinolin-4-ylidene)-2-[(4-phenylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(2-methyl-1H-quinolin-4-ylidene)-2-[(4-phenylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(2-methyl-1H-quinolin-4-ylidene)-2-[(4-phenylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(2-methyl-1H-quinolin-4-ylidene)-2-[(4-phenyl-1-piperazinyl)methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(2-methyl-1H-quinolin-4-ylidene)-2-[(4-phenylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(2-methyl-1H-quinolin-4-ylidene)-2-[(4-phenylpiperazino)methyl]cyclohexa-2,5-dien-1-one Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=CC(=O)C(=C2)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5N1

Isomeric SMILES

CC1=CC(=C2C=CC(=O)C(=C2)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5N1

InChI

InChI=1S/C27H27N3O/c1-20-17-25(24-9-5-6-10-26(24)28-20)21-11-12-27(31)22(18-21)19-29-13-15-30(16-14-29)23-7-3-2-4-8-23/h2-12,17-18,28H,13-16,19H2,1H3