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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methoxyphenyl)methoxy]-1-(2-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methoxyphenyl)methoxy]-1-(2-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-6-[(3-methoxyphenyl)methoxy]-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one Traditional Name: 6-m-anisyloxy-4-piperonyl-1-(2-pyridylmethyl)-1,4-diazepan-2-one Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)COC2CN(CC(=O)N(C2)CC3=CC=CC=N3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O5/c1-32-23-7-4-5-21(11-23)18-33-24-15-29(13-20-8-9-25-26(12-20)35-19-34-25)17-27(31)30(16-24)14-22-6-2-3-10-28-22/h2-12,24H,13-19H2,1H3