4-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxamide

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)-pyridin-2-yl-methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxamide Openeye Name: 4-[2-[4-[(4-chlorophenyl)-(2-pyridyl)methyl]-2-isopropyl-piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxamide CAS Name: 4-[2-[4-[(4-chlorophenyl)-(2-pyridinyl)methyl]-2-propan-2-yl-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxamide IUPAC Name: 4-[2-[4-[(4-chlorophenyl)-pyridin-2-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide Traditional Name: 4-[2-[4-[(4-chlorophenyl)-(2-pyridyl)methyl]-2-isopropyl-piperazino]-2-keto-ethyl]piperidine-1-carboxamide Formula: C27H36ClN5O2 MolecularWeight: 498.06004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)N)C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

CC(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)N)C(C3=CC=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C27H36ClN5O2/c1-19(2)24-18-32(26(23-5-3-4-12-30-23)21-6-8-22(28)9-7-21)15-16-33(24)25(34)17-20-10-13-31(14-11-20)27(29)35/h3-9,12,19-20,24,26H,10-11,13-18H2,1-2H3,(H2,29,35)