3-methylbutyl 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: 3-methylbutyl 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: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C36H46N6O3 MolecularWeight: 610.78884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)N1CCC(CC1)CN2C=NC=C2CN3C=C(C(=C3)C(=O)N4CCN(CC4)C)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC(C)CCOC(=O)N1CCC(CC1)CN2C=NC=C2CN3C=C(C(=C3)C(=O)N4CCN(CC4)C)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C36H46N6O3/c1-27(2)13-20-45-36(44)41-14-11-28(12-15-41)22-42-26-37-21-30(42)23-39-24-33(32-10-6-8-29-7-4-5-9-31(29)32)34(25-39)35(43)40-18-16-38(3)17-19-40/h4-10,21,24-28H,11-20,22-23H2,1-3H3