naphthalen-2-ylmethyl 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: naphthalen-2-ylmethyl 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: 2-naphthylmethyl 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 2-naphthalenylmethyl ester IUPAC Name: naphthalen-2-ylmethyl 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 2-naphthylmethyl ester Formula: C42H44N6O3 MolecularWeight: 680.83716

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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)OCC7=CC8=CC=CC=C8C=C7

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6CCN(CC6)C(=O)OCC7=CC8=CC=CC=C8C=C7

InChI

InChI=1S/C42H44N6O3/c1-44-19-21-46(22-20-44)41(49)40-28-45(27-39(40)38-12-6-10-34-8-4-5-11-37(34)38)26-36-24-43-30-48(36)25-31-15-17-47(18-16-31)42(50)51-29-32-13-14-33-7-2-3-9-35(33)23-32/h2-14,23-24,27-28,30-31H,15-22,25-26,29H2,1H3