butyl 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[(4-benzyl-1,4-diazepane-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-benzyl-1,4-diazepane-1-carbonyl)amino]benzoate Traditional Name: 4-[(4-benzyl-1,4-diazepane-1-carbonyl)amino]benzoic acid butyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-2-3-18-30-23(28)21-10-12-22(13-11-21)25-24(29)27-15-7-14-26(16-17-27)19-20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-19H2,1H3,(H,25,29)