N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxy-benzamide

Systemtic Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxy-benzamide Openeye Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3-methoxy-benzamide CAS Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methoxybenzamide IUPAC Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxybenzamide Traditional Name: N-[6-[4-(3,5-dimethoxybenzyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methoxy-benzamide Formula: C27H32N4O4 MolecularWeight: 476.56738

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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(=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O4/c1-33-23-7-4-6-21(16-23)27(32)29-22-8-9-26(28-18-22)31-11-5-10-30(12-13-31)19-20-14-24(34-2)17-25(15-20)35-3/h4,6-9,14-18H,5,10-13,19H2,1-3H3,(H,29,32)