4-[2-[4-[(4-chlorophenyl)-quinolin-3-yl-methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxamide

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)-quinolin-3-yl-methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxamide Openeye Name: 4-[2-[4-[(4-chlorophenyl)-(3-quinolyl)methyl]-2-isopropyl-piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxamide CAS Name: 4-[2-[4-[(4-chlorophenyl)-(3-quinolinyl)methyl]-2-propan-2-yl-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxamide IUPAC Name: 4-[2-[4-[(4-chlorophenyl)-quinolin-3-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide Traditional Name: 4-[2-[4-[(4-chlorophenyl)-(3-quinolyl)methyl]-2-isopropyl-piperazino]-2-keto-ethyl]piperidine-1-carboxamide Formula: C31H38ClN5O2 MolecularWeight: 548.11872

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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=CC5=CC=CC=C5N=C4

Isomeric SMILES

CC(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)N)C(C3=CC=C(C=C3)Cl)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C31H38ClN5O2/c1-21(2)28-20-36(15-16-37(28)29(38)17-22-11-13-35(14-12-22)31(33)39)30(23-7-9-26(32)10-8-23)25-18-24-5-3-4-6-27(24)34-19-25/h3-10,18-19,21-22,28,30H,11-17,20H2,1-2H3,(H2,33,39)