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

Systemtic Name: 3,4-dimethoxy-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[6-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 3,4-dimethoxy-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[6-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c1-20-5-7-21(8-6-20)19-30-13-4-14-31(16-15-30)26-12-10-23(18-28-26)29-27(32)22-9-11-24(33-2)25(17-22)34-3/h5-12,17-18H,4,13-16,19H2,1-3H3,(H,29,32)