3-azanyl-4-[5-azanyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one

Systemtic Name: 3-azanyl-4-[5-azanyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]imino-cyclohexa-2,5-dien-1-one Openeye Name: 3-amino-4-(5-amino-1-benzyl-3-methyl-pyrazol-4-yl)imino-cyclohexa-2,5-dien-1-one CAS Name: 3-amino-4-[[5-amino-3-methyl-1-(phenylmethyl)-4-pyrazolyl]imino]-1-cyclohexa-2,5-dienone IUPAC Name: 3-amino-4-(5-amino-1-benzyl-3-methylpyrazol-4-yl)iminocyclohexa-2,5-dien-1-one Traditional Name: 3-amino-4-(5-amino-1-benzyl-3-methyl-pyrazol-4-yl)imino-cyclohexa-2,5-dien-1-one Formula: C17H17N5O MolecularWeight: 307.34978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=C2C=CC(=O)C=C2N)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1N=C2C=CC(=O)C=C2N)N)CC3=CC=CC=C3

InChI

InChI=1S/C17H17N5O/c1-11-16(20-15-8-7-13(23)9-14(15)18)17(19)22(21-11)10-12-5-3-2-4-6-12/h2-9H,10,18-19H2,1H3