ethyl 3-[4-(4-pentylphenyl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(4-pentylphenyl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[oxo-(4-pentylphenyl)methyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-amylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C(=O)OCC

InChI

InChI=1S/C28H34N4O3/c1-3-5-6-10-21-13-15-22(16-14-21)27(33)32-18-9-17-31(19-20-32)26-25(28(34)35-4-2)29-23-11-7-8-12-24(23)30-26/h7-8,11-16H,3-6,9-10,17-20H2,1-2H3