N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; pyridine-3-carboxylic acid

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; pyridine-3-carboxylic acid Openeye Name: N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; nicotinic acid CAS Name: N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine; 3-pyridinecarboxylic acid IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; pyridine-3-carboxylic acid Traditional Name: 4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine; nicotinic acid Formula: C30H36ClN5O4 MolecularWeight: 566.09094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3.2C6H5NO2/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*8-6(9)5-2-1-3-7-4-5/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1-4H,(H,8,9)