N-[[3-[(4-azanyl-2-methyl-quinolin-6-yl)carbamoyl]phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: N-[[3-[(4-azanyl-2-methyl-quinolin-6-yl)carbamoyl]phenyl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[3-[(4-amino-2-methyl-6-quinolyl)carbamoyl]phenyl]methyl]pyrazine-2-carboxamide CAS Name: N-[[3-[[(4-amino-2-methyl-6-quinolinyl)amino]-oxomethyl]phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[3-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]pyrazine-2-carboxamide Traditional Name: N-[3-[(4-amino-2-methyl-6-quinolyl)carbamoyl]benzyl]pyrazinamide Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)CNC(=O)C4=NC=CN=C4)C(=C1)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)CNC(=O)C4=NC=CN=C4)C(=C1)N

InChI

InChI=1S/C23H20N6O2/c1-14-9-19(24)18-11-17(5-6-20(18)28-14)29-22(30)16-4-2-3-15(10-16)12-27-23(31)21-13-25-7-8-26-21/h2-11,13H,12H2,1H3,(H2,24,28)(H,27,31)(H,29,30)