1-azanyl-N-[2-[(3-ethanoylphenyl)-phenyl-amino]-2-oxidanylidene-ethyl]-N-phenyl-isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[2-[(3-ethanoylphenyl)-phenyl-amino]-2-oxidanylidene-ethyl]-N-phenyl-isoquinoline-7-carboxamide Openeye Name: N-[2-(N-(3-acetylphenyl)anilino)-2-oxo-ethyl]-1-amino-N-phenyl-isoquinoline-7-carboxamide CAS Name: N-[2-(N-(3-acetylphenyl)anilino)-2-oxoethyl]-1-amino-N-phenyl-7-isoquinolinecarboxamide IUPAC Name: N-[2-(N-(3-acetylphenyl)anilino)-2-oxoethyl]-1-amino-N-phenylisoquinoline-7-carboxamide Traditional Name: N-[2-(N-(3-acetylphenyl)anilino)-2-keto-ethyl]-1-amino-N-phenyl-isoquinoline-7-carboxamide Formula: C32H26N4O3 MolecularWeight: 514.57384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(C2=CC=CC=C2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(C2=CC=CC=C2)C(=O)CN(C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C32H26N4O3/c1-22(37)24-9-8-14-28(19-24)36(27-12-6-3-7-13-27)30(38)21-35(26-10-4-2-5-11-26)32(39)25-16-15-23-17-18-34-31(33)29(23)20-25/h2-20H,21H2,1H3,(H2,33,34)