4-[2-[4-[(4-chlorophenyl)-isoquinolin-5-yl-methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxamide

Systemtic Name: 4-[2-[4-[(4-chlorophenyl)-isoquinolin-5-yl-methyl]-2-propan-2-yl-piperazin-1-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxamide Openeye Name: 4-[2-[4-[(4-chlorophenyl)-(5-isoquinolyl)methyl]-2-isopropyl-piperazin-1-yl]-2-oxo-ethyl]piperidine-1-carboxamide CAS Name: 4-[2-[4-[(4-chlorophenyl)-(5-isoquinolinyl)methyl]-2-propan-2-yl-1-piperazinyl]-2-oxoethyl]-1-piperidinecarboxamide IUPAC Name: 4-[2-[4-[(4-chlorophenyl)-isoquinolin-5-ylmethyl]-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide Traditional Name: 4-[2-[4-[(4-chlorophenyl)-(5-isoquinolyl)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=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC(C)C1CN(CCN1C(=O)CC2CCN(CC2)C(=O)N)C(C3=CC=C(C=C3)Cl)C4=CC=CC5=C4C=CN=C5

InChI

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