N-(4-chlorophenyl)-4-(N-cyano-N'-quinolin-5-yl-carbamimidoyl)-2-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-4-(N-cyano-N'-quinolin-5-yl-carbamimidoyl)-2-propan-2-yl-piperazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(5-quinolyl)carbamimidoyl]-2-isopropyl-piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[(cyanoamino)-(5-quinolinylimino)methyl]-2-propan-2-yl-1-piperazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-4-(N-cyano-N'-quinolin-5-ylcarbamimidoyl)-2-propan-2-ylpiperazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-[N-cyano-N'-(5-quinolyl)amidino]-2-isopropyl-piperazine-1-carboxamide Formula: C25H26ClN7O MolecularWeight: 475.97324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)NC2=CC=C(C=C2)Cl)C(=NC3=CC=CC4=C3C=CC=N4)NC#N

Isomeric SMILES

CC(C)C1CN(CCN1C(=O)NC2=CC=C(C=C2)Cl)C(=NC3=CC=CC4=C3C=CC=N4)NC#N

InChI

InChI=1S/C25H26ClN7O/c1-17(2)23-15-32(13-14-33(23)25(34)30-19-10-8-18(26)9-11-19)24(29-16-27)31-22-7-3-6-21-20(22)5-4-12-28-21/h3-12,17,23H,13-15H2,1-2H3,(H,29,31)(H,30,34)