2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide Traditional Name: 2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)N3CCCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)N3CCCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H27N5O2/c1-19-16-23(28-32-19)27-25(31)24(22-6-3-2-4-7-22)30-13-5-12-29(14-15-30)18-21-10-8-20(17-26)9-11-21/h2-4,6-11,16,24H,5,12-15,18H2,1H3,(H,27,28,31)