1-(5,6-dihydrobenzo[b][1]benzazepin-11-ylcarbonyl)-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-ylcarbonyl)-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid CAS Name: 1-[5,6-dihydrobenzo[b][1]benzazepin-11-yl(oxo)methyl]-4-[(dipentylamino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: 4-(diamylcarbamoyl)-1-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)piperazine-2-carboxylic acid Formula: C31H42N4O4 MolecularWeight: 534.68958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)N1CCN(C(C1)C(=O)O)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CCCCCN(CCCCC)C(=O)N1CCN(C(C1)C(=O)O)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C31H42N4O4/c1-3-5-11-19-32(20-12-6-4-2)30(38)33-21-22-34(28(23-33)29(36)37)31(39)35-26-15-9-7-13-24(26)17-18-25-14-8-10-16-27(25)35/h7-10,13-16,28H,3-6,11-12,17-23H2,1-2H3,(H,36,37)