2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 2-(3,4-dimethoxyphenyl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanone Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-26-20-10-9-19(15-21(20)27-2)16-22(25)24-12-6-11-23(13-14-24)17-18-7-4-3-5-8-18/h3-5,7-10,15H,6,11-14,16-17H2,1-2H3