1-azanyl-N-[2-[(4-methylphenyl)carbonylamino]-1-phenyl-ethyl]isoquinoline-7-carboxamide

Systemtic Name: 1-azanyl-N-[2-[(4-methylphenyl)carbonylamino]-1-phenyl-ethyl]isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[2-[(4-methylbenzoyl)amino]-1-phenyl-ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-[2-[[(4-methylphenyl)-oxomethyl]amino]-1-phenylethyl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[2-[(4-methylbenzoyl)amino]-1-phenylethyl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-[1-phenyl-2-(p-toluoylamino)ethyl]isoquinoline-7-carboxamide Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O2/c1-17-7-9-20(10-8-17)25(31)29-16-23(19-5-3-2-4-6-19)30-26(32)21-12-11-18-13-14-28-24(27)22(18)15-21/h2-15,23H,16H2,1H3,(H2,27,28)(H,29,31)(H,30,32)