tert-butyl 2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-pyrrolidin-2-ylcarbonyl-3,4-dihydroquinoline-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-pyrrolidin-2-ylcarbonyl-3,4-dihydroquinoline-1-carboxylate Openeye Name: tert-butyl 2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-(pyrrolidine-2-carbonyl)-3,4-dihydroquinoline-1-carboxylate CAS Name: 2-[[4-(1H-indol-4-yl)-1-piperazinyl]methyl]-2-[oxo(2-pyrrolidinyl)methyl]-3,4-dihydroquinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2-(pyrrolidine-2-carbonyl)-3,4-dihydroquinoline-1-carboxylate Traditional Name: 2-[[4-(1H-indol-4-yl)piperazino]methyl]-2-prolyl-3,4-dihydroquinoline-1-carboxylic acid tert-butyl ester Formula: C32H41N5O3 MolecularWeight: 543.69964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1(CN3CCN(CC3)C4=CC=CC5=C4C=CN5)C(=O)C6CCCN6

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1(CN3CCN(CC3)C4=CC=CC5=C4C=CN5)C(=O)C6CCCN6

InChI

InChI=1S/C32H41N5O3/c1-31(2,3)40-30(39)37-27-11-5-4-8-23(27)13-15-32(37,29(38)26-10-7-16-33-26)22-35-18-20-36(21-19-35)28-12-6-9-25-24(28)14-17-34-25/h4-6,8-9,11-12,14,17,26,33-34H,7,10,13,15-16,18-22H2,1-3H3