(2,4-dimethoxyphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(2,4-dimethoxyphenyl)methanone CAS Name: (2,4-dimethoxyphenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(2,4-dimethoxyphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(2,4-dimethoxyphenyl)methanone Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O3/c1-25-18-9-10-19(20(15-18)26-2)21(24)23-12-6-11-22(13-14-23)16-17-7-4-3-5-8-17/h3-5,7-10,15H,6,11-14,16H2,1-2H3