N-[3-[(7-chloranylquinolin-4-yl)amino]propyl]-N-(3,3-dimethyl-2-oxidanylidene-butyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-[(7-chloranylquinolin-4-yl)amino]propyl]-N-(3,3-dimethyl-2-oxidanylidene-butyl)pyrazine-2-carboxamide Openeye Name: N-[3-[(7-chloro-4-quinolyl)amino]propyl]-N-(3,3-dimethyl-2-oxo-butyl)pyrazine-2-carboxamide CAS Name: N-[3-[(7-chloro-4-quinolinyl)amino]propyl]-N-(3,3-dimethyl-2-oxobutyl)-2-pyrazinecarboxamide IUPAC Name: N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(3,3-dimethyl-2-oxobutyl)pyrazine-2-carboxamide Traditional Name: N-[3-[(7-chloro-4-quinolyl)amino]propyl]-N-(2-keto-3,3-dimethyl-butyl)pyrazinamide Formula: C23H26ClN5O2 MolecularWeight: 439.93784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN(CCCNC1=C2C=CC(=CC2=NC=C1)Cl)C(=O)C3=NC=CN=C3

Isomeric SMILES

CC(C)(C)C(=O)CN(CCCNC1=C2C=CC(=CC2=NC=C1)Cl)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C23H26ClN5O2/c1-23(2,3)21(30)15-29(22(31)20-14-25-10-11-28-20)12-4-8-26-18-7-9-27-19-13-16(24)5-6-17(18)19/h5-7,9-11,13-14H,4,8,12,15H2,1-3H3,(H,26,27)