(3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydroisoquinolin-1-one CAS Name: (3S,4R)-3-(1-methyl-2-pyrrolyl)-2-phenethyl-4-[(4-phenyl-1-piperazinyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazino)methyl]-3,4-dihydroisocarbostyril Formula: C33H36N4O MolecularWeight: 504.66514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C(C3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)CN5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CN1C=CC=C1[C@@H]2[C@H](C3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4)CN5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H36N4O/c1-34-19-10-17-31(34)32-30(25-35-21-23-36(24-22-35)27-13-6-3-7-14-27)28-15-8-9-16-29(28)33(38)37(32)20-18-26-11-4-2-5-12-26/h2-17,19,30,32H,18,20-25H2,1H3/t30-,32-/m0/s1