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

Systemtic Name: (phenylmethyl) 4-[[5-[1-methyl-3-(4-methylpiperazin-1-yl)carbonyl-4-naphthalen-1-yl-pyrrol-2-yl]imidazol-1-yl]methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[5-[1-methyl-3-(4-methylpiperazine-1-carbonyl)-4-(1-naphthyl)pyrrol-2-yl]imidazol-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[5-[1-methyl-3-[(4-methyl-1-piperazinyl)-oxomethyl]-4-(1-naphthalenyl)-2-pyrrolyl]-1-imidazolyl]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[5-[1-methyl-3-(4-methylpiperazine-1-carbonyl)-4-naphthalen-1-ylpyrrol-2-yl]imidazol-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[5-[1-methyl-3-(4-methylpiperazine-1-carbonyl)-4-(1-naphthyl)pyrrol-2-yl]imidazol-1-yl]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C38H42N6O3 MolecularWeight: 630.77848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=C(N(C=C2C3=CC=CC4=CC=CC=C43)C)C5=CN=CN5CC6CCN(CC6)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=C(N(C=C2C3=CC=CC4=CC=CC=C43)C)C5=CN=CN5CC6CCN(CC6)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C38H42N6O3/c1-40-19-21-42(22-20-40)37(45)35-33(32-14-8-12-30-11-6-7-13-31(30)32)25-41(2)36(35)34-23-39-27-44(34)24-28-15-17-43(18-16-28)38(46)47-26-29-9-4-3-5-10-29/h3-14,23,25,27-28H,15-22,24,26H2,1-2H3