ethyl 3-[4-(3,4,5-trimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(3,4,5-trimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate CAS Name: 3-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylic acid ethyl ester Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O6/c1-5-36-26(32)22-24(28-19-10-7-6-9-18(19)27-22)29-11-8-12-30(14-13-29)25(31)17-15-20(33-2)23(35-4)21(16-17)34-3/h6-7,9-10,15-16H,5,8,11-14H2,1-4H3