4-[3-(1,3-benzodioxol-5-yl)propanoyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)propanoyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)propanoyl]-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-6-methoxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)propanoyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)propanoyl]-6-methoxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1CN(CC(=O)N(C1)CC2=CN=CC=C2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O5/c1-28-18-12-24(11-17-3-2-8-23-10-17)22(27)14-25(13-18)21(26)7-5-16-4-6-19-20(9-16)30-15-29-19/h2-4,6,8-10,18H,5,7,11-15H2,1H3