N-(4-chlorophenyl)-4-[(cyanoamino)-(quinolin-5-ylamino)methyl]-3,3-dimethyl-piperazine-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-4-[(cyanoamino)-(quinolin-5-ylamino)methyl]-3,3-dimethyl-piperazine-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[(cyanoamino)-(5-quinolylamino)methyl]-3,3-dimethyl-piperazine-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[(cyanoamino)-(5-quinolinylamino)methyl]-3,3-dimethyl-1-piperazinecarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[(cyanoamino)-(quinolin-5-ylamino)methyl]-3,3-dimethylpiperazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-[(cyanoamino)-(5-quinolylamino)methyl]-3,3-dimethyl-piperazine-1-carboxamide Formula: C24H26ClN7O MolecularWeight: 463.96254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1C(NC#N)NC2=CC=CC3=C2C=CC=N3)C(=O)NC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1(CN(CCN1C(NC#N)NC2=CC=CC3=C2C=CC=N3)C(=O)NC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C24H26ClN7O/c1-24(2)15-31(23(33)29-18-10-8-17(25)9-11-18)13-14-32(24)22(28-16-26)30-21-7-3-6-20-19(21)5-4-12-27-20/h3-12,22,28,30H,13-15H2,1-2H3,(H,29,33)