4-azanyl-5-chloranyl-2-ethoxy-N-[1-methyl-5-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-6-yl]benzamide

Systemtic Name: 4-azanyl-5-chloranyl-2-ethoxy-N-[1-methyl-5-oxidanylidene-4-(phenylmethyl)-1,4-diazepan-6-yl]benzamide Openeye Name: 4-amino-N-(4-benzyl-1-methyl-5-oxo-1,4-diazepan-6-yl)-5-chloro-2-ethoxy-benzamide CAS Name: 4-amino-5-chloro-2-ethoxy-N-[1-methyl-5-oxo-4-(phenylmethyl)-1,4-diazepan-6-yl]benzamide IUPAC Name: 4-amino-N-(4-benzyl-1-methyl-5-oxo-1,4-diazepan-6-yl)-5-chloro-2-ethoxybenzamide Traditional Name: 4-amino-N-(4-benzyl-5-keto-1-methyl-1,4-diazepan-6-yl)-5-chloro-2-ethoxy-benzamide Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2=O)CC3=CC=CC=C3)C)Cl)N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCN(C2=O)CC3=CC=CC=C3)C)Cl)N

InChI

InChI=1S/C22H27ClN4O3/c1-3-30-20-12-18(24)17(23)11-16(20)21(28)25-19-14-26(2)9-10-27(22(19)29)13-15-7-5-4-6-8-15/h4-8,11-12,19H,3,9-10,13-14,24H2,1-2H3,(H,25,28)