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

Systemtic Name: 4-methoxy-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-methoxy-N-[6-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-methoxy-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-methoxy-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-methoxy-N-[6-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C26H30N4O2 MolecularWeight: 430.542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H30N4O2/c1-20-4-6-21(7-5-20)19-29-14-3-15-30(17-16-29)25-13-10-23(18-27-25)28-26(31)22-8-11-24(32-2)12-9-22/h4-13,18H,3,14-17,19H2,1-2H3,(H,28,31)