N-[6-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-methyl-butanamide

Systemtic Name: N-[6-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]-3-methyl-butanamide Openeye Name: N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridyl]-3-methyl-butanamide CAS Name: N-[6-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]-3-methylbutanamide IUPAC Name: N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]pyridin-3-yl]-3-methylbutanamide Traditional Name: N-[6-[4-(4-chlorobenzoyl)piperazino]-3-pyridyl]-3-methyl-butyramide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-15(2)13-20(27)24-18-7-8-19(23-14-18)25-9-11-26(12-10-25)21(28)16-3-5-17(22)6-4-16/h3-8,14-15H,9-13H2,1-2H3,(H,24,27)