N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxy-benzamide

Systemtic Name: N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxy-benzamide Openeye Name: N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3-methoxy-benzamide CAS Name: N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methoxybenzamide IUPAC Name: N-[6-[4-[(2,4-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methoxybenzamide Traditional Name: N-[6-[4-(2,4-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(=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC)OC

InChI

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