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

Systemtic Name: naphthalen-2-ylmethyl 4-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)carbonyl-4-naphthalen-1-yl-pyrrol-1-yl]methyl]imidazol-1-yl]piperidine-1-carboxylate Openeye Name: 2-naphthylmethyl 4-[2-methyl-5-[[3-(4-methylpiperazine-1-carbonyl)-4-(1-naphthyl)pyrrol-1-yl]methyl]imidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[2-methyl-5-[[3-[(4-methyl-1-piperazinyl)-oxomethyl]-4-(1-naphthalenyl)-1-pyrrolyl]methyl]-1-imidazolyl]-1-piperidinecarboxylic acid 2-naphthalenylmethyl ester IUPAC Name: naphthalen-2-ylmethyl 4-[2-methyl-5-[[3-(4-methylpiperazine-1-carbonyl)-4-naphthalen-1-ylpyrrol-1-yl]methyl]imidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[2-methyl-5-[[3-(4-methylpiperazine-1-carbonyl)-4-(1-naphthyl)pyrrol-1-yl]methyl]imidazol-1-yl]piperidine-1-carboxylic acid 2-naphthylmethyl ester Formula: C42H44N6O3 MolecularWeight: 680.83716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C2CCN(CC2)C(=O)OCC3=CC4=CC=CC=C4C=C3)CN5C=C(C(=C5)C(=O)N6CCN(CC6)C)C7=CC=CC8=CC=CC=C87

Isomeric SMILES

CC1=NC=C(N1C2CCN(CC2)C(=O)OCC3=CC4=CC=CC=C4C=C3)CN5C=C(C(=C5)C(=O)N6CCN(CC6)C)C7=CC=CC8=CC=CC=C87

InChI

InChI=1S/C42H44N6O3/c1-30-43-25-36(48(30)35-16-18-47(19-17-35)42(50)51-29-31-14-15-32-8-3-4-10-34(32)24-31)26-45-27-39(38-13-7-11-33-9-5-6-12-37(33)38)40(28-45)41(49)46-22-20-44(2)21-23-46/h3-15,24-25,27-28,35H,16-23,26,29H2,1-2H3