ethyl 4-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H28N4O3/c1-2-31-24(30)21-8-10-22(11-9-21)26-23(29)18-28-13-3-12-27(14-15-28)17-20-6-4-19(16-25)5-7-20/h4-11H,2-3,12-15,17-18H2,1H3,(H,26,29)