N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; pyrazine-2-carboxamide

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; pyrazine-2-carboxamide Openeye Name: N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; pyrazine-2-carboxamide CAS Name: N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine; 2-pyrazinecarboxamide IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; pyrazine-2-carboxamide Traditional Name: 4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine; pyrazinamide Formula: C23H31ClN6O MolecularWeight: 442.98484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.C1=CN=C(C=N1)C(=O)N

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.C1=CN=C(C=N1)C(=O)N

InChI

InChI=1S/C18H26ClN3.C5H5N3O/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;6-5(9)4-3-7-1-2-8-4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);1-3H,(H2,6,9)