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

Systemtic Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Openeye Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone CAS Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone IUPAC Name: [4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Traditional Name: [4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2/c1-20-11-12-22(18-21(20)2)19-28-14-7-15-29(17-16-28)26(30)24-10-6-13-27-25(24)31-23-8-4-3-5-9-23/h3-6,8-13,18H,7,14-17,19H2,1-2H3