4-azanyl-5-chloranyl-2-ethoxy-N-[1-(phenylmethyl)azepan-3-yl]benzamide

Systemtic Name: 4-azanyl-5-chloranyl-2-ethoxy-N-[1-(phenylmethyl)azepan-3-yl]benzamide Openeye Name: 4-amino-N-(1-benzylazepan-3-yl)-5-chloro-2-ethoxy-benzamide CAS Name: 4-amino-5-chloro-2-ethoxy-N-[1-(phenylmethyl)-3-azepanyl]benzamide IUPAC Name: 4-amino-N-(1-benzylazepan-3-yl)-5-chloro-2-ethoxybenzamide Traditional Name: 4-amino-N-(1-benzylazepan-3-yl)-5-chloro-2-ethoxy-benzamide Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)NC2CCCCN(C2)CC3=CC=CC=C3)Cl)N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)NC2CCCCN(C2)CC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C22H28ClN3O2/c1-2-28-21-13-20(24)19(23)12-18(21)22(27)25-17-10-6-7-11-26(15-17)14-16-8-4-3-5-9-16/h3-5,8-9,12-13,17H,2,6-7,10-11,14-15,24H2,1H3,(H,25,27)