N-[4-(azepan-1-yl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-pivaloyl-isonipecotamide Formula: C23H35N3O2 MolecularWeight: 385.5429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C23H35N3O2/c1-23(2,3)22(28)26-16-12-18(13-17-26)21(27)24-19-8-10-20(11-9-19)25-14-6-4-5-7-15-25/h8-11,18H,4-7,12-17H2,1-3H3,(H,24,27)