1-azanyl-N-[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[1-benzyl-2-oxo-2-(p-tolylmethylamino)ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-[1-[(4-methylphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[1-[(4-methylphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-[1-benzyl-2-keto-2-[(4-methylbenzyl)amino]ethyl]isoquinoline-7-carboxamide Formula: C27H26N4O2 MolecularWeight: 438.52094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C27H26N4O2/c1-18-7-9-20(10-8-18)17-30-27(33)24(15-19-5-3-2-4-6-19)31-26(32)22-12-11-21-13-14-29-25(28)23(21)16-22/h2-14,16,24H,15,17H2,1H3,(H2,28,29)(H,30,33)(H,31,32)