(3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline CAS Name: (3S,4R)-3-(1-methyl-2-pyrrolyl)-2-phenethyl-4-[(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: (3S,4R)-3-(1-methylpyrrol-2-yl)-2-phenethyl-4-[(4-phenylpiperazino)methyl]-3,4-dihydro-1H-isoquinoline Formula: C33H38N4 MolecularWeight: 490.68162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C(C3=CC=CC=C3CN2CCC4=CC=CC=C4)CN5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

CN1C=CC=C1[C@@H]2[C@H](C3=CC=CC=C3CN2CCC4=CC=CC=C4)CN5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H38N4/c1-34-19-10-17-32(34)33-31(26-35-21-23-36(24-22-35)29-14-6-3-7-15-29)30-16-9-8-13-28(30)25-37(33)20-18-27-11-4-2-5-12-27/h2-17,19,31,33H,18,20-26H2,1H3/t31-,33-/m0/s1