N-(4-chlorophenyl)-4-[(cyanoamino)-[(2-methylquinolin-5-yl)amino]methyl]-3-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-4-[(cyanoamino)-[(2-methylquinolin-5-yl)amino]methyl]-3-propan-2-yl-piperazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[(cyanoamino)-[(2-methyl-5-quinolyl)amino]methyl]-3-isopropyl-piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[(cyanoamino)-[(2-methyl-5-quinolinyl)amino]methyl]-3-propan-2-yl-1-piperazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[(cyanoamino)-[(2-methylquinolin-5-yl)amino]methyl]-3-propan-2-ylpiperazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-[(cyanoamino)-[(2-methyl-5-quinolyl)amino]methyl]-3-isopropyl-piperazine-1-carboxamide Formula: C26H30ClN7O MolecularWeight: 492.0157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC(NC#N)N3CCN(CC3C(C)C)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC(NC#N)N3CCN(CC3C(C)C)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H30ClN7O/c1-17(2)24-15-33(26(35)31-20-10-8-19(27)9-11-20)13-14-34(24)25(29-16-28)32-23-6-4-5-22-21(23)12-7-18(3)30-22/h4-12,17,24-25,29,32H,13-15H2,1-3H3,(H,31,35)