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

Systemtic Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclopentanecarboxamide Openeye Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]cyclopentanecarboxamide CAS Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclopentanecarboxamide IUPAC Name: N-[6-[4-[(3,5-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclopentanecarboxamide Traditional Name: N-[6-[4-(3,5-dimethoxybenzyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclopentanecarboxamide Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCC4)OC

InChI

InChI=1S/C25H34N4O3/c1-31-22-14-19(15-23(16-22)32-2)18-28-10-5-11-29(13-12-28)24-9-8-21(17-26-24)27-25(30)20-6-3-4-7-20/h8-9,14-17,20H,3-7,10-13,18H2,1-2H3,(H,27,30)