4-azanyl-5-chloranyl-N-[1-ethyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-2-methoxy-benzamide

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-ethyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-2-methoxy-benzamide Openeye Name: 4-amino-N-(1-benzyl-4-ethyl-1,4-diazepan-6-yl)-5-chloro-2-methoxy-benzamide CAS Name: 4-amino-5-chloro-N-[1-ethyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-2-methoxybenzamide IUPAC Name: 4-amino-N-(1-benzyl-4-ethyl-1,4-diazepan-6-yl)-5-chloro-2-methoxybenzamide Traditional Name: 4-amino-N-(1-benzyl-4-ethyl-1,4-diazepan-6-yl)-5-chloro-2-methoxy-benzamide Formula: C22H29ClN4O2 MolecularWeight: 416.94426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC(C1)NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC(C1)NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN4O2/c1-3-26-9-10-27(13-16-7-5-4-6-8-16)15-17(14-26)25-22(28)18-11-19(23)20(24)12-21(18)29-2/h4-8,11-12,17H,3,9-10,13-15,24H2,1-2H3,(H,25,28)