4-[(7-chloranylquinolin-4-yl)amino]-2-[(heptylamino)methyl]phenol

Systemtic Name: 4-[(7-chloranylquinolin-4-yl)amino]-2-[(heptylamino)methyl]phenol Openeye Name: 4-[(7-chloro-4-quinolyl)amino]-2-[(heptylamino)methyl]phenol CAS Name: 4-[(7-chloro-4-quinolinyl)amino]-2-[(heptylamino)methyl]phenol IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-[(heptylamino)methyl]phenol Traditional Name: 4-[(7-chloro-4-quinolyl)amino]-2-[(heptylamino)methyl]phenol Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O

Isomeric SMILES

CCCCCCCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O

InChI

InChI=1S/C23H28ClN3O/c1-2-3-4-5-6-12-25-16-17-14-19(8-10-23(17)28)27-21-11-13-26-22-15-18(24)7-9-20(21)22/h7-11,13-15,25,28H,2-6,12,16H2,1H3,(H,26,27)