3-(1H-indol-3-yl)-2-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(1H-indol-3-yl)-2-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(1H-indol-3-yl)-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one CAS Name: 3-(1H-indol-3-yl)-2-methyl-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(1H-indol-3-yl)-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(1H-indol-3-yl)-2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,4-dihydroisocarbostyril Formula: C29H27N5O4 MolecularWeight: 509.55578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CNC6=CC=CC=C65

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H27N5O4/c1-31-27(24-18-30-25-9-5-4-6-21(24)25)26(22-7-2-3-8-23(22)28(31)35)29(36)33-16-14-32(15-17-33)19-10-12-20(13-11-19)34(37)38/h2-13,18,26-27,30H,14-17H2,1H3