N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[[4-(m-tolylmethoxy)phenyl]methyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-[4-(3-methylbenzyl)oxybenzyl]-2H-isoquinoline-3-carboxamide Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C25H22N2O3/c1-17-5-4-6-19(13-17)16-30-21-11-9-18(10-12-21)15-26-25(29)23-14-20-7-2-3-8-22(20)24(28)27-23/h2-14H,15-16H2,1H3,(H,26,29)(H,27,28)