1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-27-20-14-19(15-21(28-2)23(20)29-3)16-22(26)25-11-7-10-24(12-13-25)17-18-8-5-4-6-9-18/h4-6,8-9,14-15H,7,10-13,16-17H2,1-3H3