N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide

Systemtic Name: N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: N-(3-amino-1-benzyl-2,3-dioxo-propyl)-2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide CAS Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: N-(3-amino-1-benzyl-2,3-diketo-propyl)-2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)C3=CC=CC=C3C(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)N)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)C3=CC=CC=C3C(=O)NC(CC4=CC=CC=C4)C(=O)C(=O)N)C=C1

InChI

InChI=1S/C27H27N3O4/c1-34-21-12-11-20-17-30(14-13-19(20)16-21)24-10-6-5-9-22(24)27(33)29-23(25(31)26(28)32)15-18-7-3-2-4-8-18/h2-12,16,23H,13-15,17H2,1H3,(H2,28,32)(H,29,33)