6-methoxy-4-[3-(4-methoxyphenyl)propanoyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 6-methoxy-4-[3-(4-methoxyphenyl)propanoyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 6-methoxy-4-[3-(4-methoxyphenyl)propanoyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 6-methoxy-4-[3-(4-methoxyphenyl)-1-oxopropyl]-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 6-methoxy-4-[3-(4-methoxyphenyl)propanoyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-methoxy-4-[3-(4-methoxyphenyl)propanoyl]-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O4/c1-28-19-8-5-17(6-9-19)7-10-21(26)25-15-20(29-2)14-24(22(27)16-25)13-18-4-3-11-23-12-18/h3-6,8-9,11-12,20H,7,10,13-16H2,1-2H3