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

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3,4,5-trimethoxyphenyl)methanone Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-26-19-14-18(15-20(27-2)21(19)28-3)22(25)24-11-7-10-23(12-13-24)16-17-8-5-4-6-9-17/h4-6,8-9,14-15H,7,10-13,16H2,1-3H3