2-[4-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[[4-(4-bromophenyl)-3-pyridyl]methyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[[4-(4-bromophenyl)-3-pyridinyl]methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[[4-(4-bromophenyl)pyridin-3-yl]methyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[[4-(4-bromophenyl)-3-pyridyl]methyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C27H31BrN4O MolecularWeight: 507.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NCCC2=CC=CC=C2)CC3=C(C=CN=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NCCC2=CC=CC=C2)CC3=C(C=CN=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H31BrN4O/c28-25-9-7-23(8-10-25)26-12-13-29-19-24(26)20-31-15-4-16-32(18-17-31)21-27(33)30-14-11-22-5-2-1-3-6-22/h1-3,5-10,12-13,19H,4,11,14-18,20-21H2,(H,30,33)