N-[6-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-(4-m-anisyl-1,4-diazepan-1-yl)-3-pyridyl]cyclohexanecarboxamide Formula: C25H34N4O2 MolecularWeight: 422.56306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C25H34N4O2/c1-31-23-10-5-7-20(17-23)19-28-13-6-14-29(16-15-28)24-12-11-22(18-26-24)27-25(30)21-8-3-2-4-9-21/h5,7,10-12,17-18,21H,2-4,6,8-9,13-16,19H2,1H3,(H,27,30)