3-methoxy-N-[6-[4-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 3-methoxy-N-[6-[4-[(3-methoxy-4-oxidanyl-phenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-[(4-hydroxy-3-methoxy-phenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3-methoxy-benzamide CAS Name: N-[6-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methoxybenzamide IUPAC Name: N-[6-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxybenzamide Traditional Name: 3-methoxy-N-[6-(4-vanillyl-1,4-diazepan-1-yl)-3-pyridyl]benzamide Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC(=C(C=C4)O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C26H30N4O4/c1-33-22-6-3-5-20(16-22)26(32)28-21-8-10-25(27-17-21)30-12-4-11-29(13-14-30)18-19-7-9-23(31)24(15-19)34-2/h3,5-10,15-17,31H,4,11-14,18H2,1-2H3,(H,28,32)