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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6CCN(CC6)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6CCN(CC6)C(=O)OC

InChI

InChI=1S/C32H38N6O3/c1-34-14-16-36(17-15-34)31(39)30-22-35(21-29(30)28-9-5-7-25-6-3-4-8-27(25)28)20-26-18-33-23-38(26)19-24-10-12-37(13-11-24)32(40)41-2/h3-9,18,21-24H,10-17,19-20H2,1-2H3