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

Systemtic Name: 1-azanyl-N-[2-[(4-methoxyphenyl)carbonylamino]-1-phenyl-ethyl]isoquinoline-7-carboxamide Openeye Name: 1-amino-N-[2-[(4-methoxybenzoyl)amino]-1-phenyl-ethyl]isoquinoline-7-carboxamide CAS Name: 1-amino-N-[2-[[(4-methoxyphenyl)-oxomethyl]amino]-1-phenylethyl]-7-isoquinolinecarboxamide IUPAC Name: 1-amino-N-[2-[(4-methoxybenzoyl)amino]-1-phenylethyl]isoquinoline-7-carboxamide Traditional Name: 1-amino-N-[2-(p-anisoylamino)-1-phenyl-ethyl]isoquinoline-7-carboxamide Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NCC(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NCC(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C26H24N4O3/c1-33-21-11-9-19(10-12-21)25(31)29-16-23(18-5-3-2-4-6-18)30-26(32)20-8-7-17-13-14-28-24(27)22(17)15-20/h2-15,23H,16H2,1H3,(H2,27,28)(H,29,31)(H,30,32)