(3R,4R)-4-[4-(1H-indol-4-yl)piperazin-1-yl]carbonyl-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinolin-1-one

Systemtic Name: (3R,4R)-4-[4-(1H-indol-4-yl)piperazin-1-yl]carbonyl-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinolin-1-one Openeye Name: (3R,4R)-4-[4-(1H-indol-4-yl)piperazine-1-carbonyl]-2-isopropyl-3-phenyl-3,4-dihydroisoquinolin-1-one CAS Name: (3R,4R)-4-[[4-(1H-indol-4-yl)-1-piperazinyl]-oxomethyl]-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinolin-1-one IUPAC Name: (3R,4R)-4-[4-(1H-indol-4-yl)piperazine-1-carbonyl]-3-phenyl-2-propan-2-yl-3,4-dihydroisoquinolin-1-one Traditional Name: (3R,4R)-4-[4-(1H-indol-4-yl)piperazine-1-carbonyl]-2-isopropyl-3-phenyl-3,4-dihydroisocarbostyril Formula: C31H32N4O2 MolecularWeight: 492.61138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5)C6=CC=CC=C6

Isomeric SMILES

CC(C)N1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC5=C4C=CN5)C6=CC=CC=C6

InChI

InChI=1S/C31H32N4O2/c1-21(2)35-29(22-9-4-3-5-10-22)28(23-11-6-7-12-24(23)30(35)36)31(37)34-19-17-33(18-20-34)27-14-8-13-26-25(27)15-16-32-26/h3-16,21,28-29,32H,17-20H2,1-2H3/t28-,29+/m1/s1