(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-chloro-4-ethoxy-5-methoxy-phenyl)methanone CAS Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-chloro-4-ethoxy-5-methoxyphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-chloro-4-ethoxy-5-methoxy-phenyl)methanone Formula: C22H27ClN2O3 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27ClN2O3/c1-3-28-21-19(23)14-18(15-20(21)27-2)22(26)25-11-7-10-24(12-13-25)16-17-8-5-4-6-9-17/h4-6,8-9,14-15H,3,7,10-13,16H2,1-2H3