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

Systemtic Name: ethyl 3-[4-(3-chlorophenyl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[(3-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C23H23ClN4O3 MolecularWeight: 438.90672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=NC2=CC=CC=C2N=C1N3CCCN(CC3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O3/c1-2-31-23(30)20-21(26-19-10-4-3-9-18(19)25-20)27-11-6-12-28(14-13-27)22(29)16-7-5-8-17(24)15-16/h3-5,7-10,15H,2,6,11-14H2,1H3