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

Systemtic Name: [4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Openeye Name: [4-(m-tolylmethyl)-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone CAS Name: [4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone IUPAC Name: [4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Traditional Name: [4-(3-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(=CC=C1)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

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