methyl 4-[[2-(1H-imidazol-5-yl)-5-methyl-4-(4-methylpiperazin-1-yl)carbonyl-3-naphthalen-1-yl-pyrrol-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[[2-(1H-imidazol-5-yl)-5-methyl-4-(4-methylpiperazin-1-yl)carbonyl-3-naphthalen-1-yl-pyrrol-1-yl]methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[2-(1H-imidazol-5-yl)-5-methyl-4-(4-methylpiperazine-1-carbonyl)-3-(1-naphthyl)pyrrol-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[2-(1H-imidazol-5-yl)-5-methyl-4-[(4-methyl-1-piperazinyl)-oxomethyl]-3-(1-naphthalenyl)-1-pyrrolyl]methyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(1H-imidazol-5-yl)-5-methyl-4-(4-methylpiperazine-1-carbonyl)-3-naphthalen-1-ylpyrrol-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(1H-imidazol-5-yl)-5-methyl-4-(4-methylpiperazine-1-carbonyl)-3-(1-naphthyl)pyrrol-1-yl]methyl]piperidine-1-carboxylic acid methyl ester Formula: C32H38N6O3 MolecularWeight: 554.68252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2CCN(CC2)C(=O)OC)C3=CN=CN3)C4=CC=CC5=CC=CC=C54)C(=O)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C(=C(N1CC2CCN(CC2)C(=O)OC)C3=CN=CN3)C4=CC=CC5=CC=CC=C54)C(=O)N6CCN(CC6)C

InChI

InChI=1S/C32H38N6O3/c1-22-28(31(39)36-17-15-35(2)16-18-36)29(26-10-6-8-24-7-4-5-9-25(24)26)30(27-19-33-21-34-27)38(22)20-23-11-13-37(14-12-23)32(40)41-3/h4-10,19,21,23H,11-18,20H2,1-3H3,(H,33,34)