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

Systemtic Name: [4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Openeye Name: [4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone CAS Name: [4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone IUPAC Name: [4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxypyridin-3-yl)methanone Traditional Name: [4-(4-tert-butylbenzyl)-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridyl)methanone Formula: C28H33N3O2 MolecularWeight: 443.58052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O2/c1-28(2,3)23-14-12-22(13-15-23)21-30-17-8-18-31(20-19-30)27(32)25-11-7-16-29-26(25)33-24-9-5-4-6-10-24/h4-7,9-16H,8,17-21H2,1-3H3