[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Openeye Name: (2-phenoxy-3-pyridyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Traditional Name: [4-(4-methylbenzyl)-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2/c1-20-10-12-21(13-11-20)19-27-15-6-16-28(18-17-27)25(29)23-9-5-14-26-24(23)30-22-7-3-2-4-8-22/h2-5,7-14H,6,15-19H2,1H3