N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)phenyl]-7-chloranyl-quinolin-4-amine

Systemtic Name: N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)phenyl]-7-chloranyl-quinolin-4-amine Openeye Name: N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)phenyl]-7-chloro-quinolin-4-amine CAS Name: N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)phenyl]-7-chloro-4-quinolinamine IUPAC Name: N-[3-[(tert-butylamino)methyl]-5-(4-chlorophenyl)phenyl]-7-chloroquinolin-4-amine Traditional Name: tert-butyl-[3-(4-chlorophenyl)-5-[(7-chloro-4-quinolyl)amino]benzyl]amine Formula: C26H25Cl2N3 MolecularWeight: 450.4028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)NC3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC(C)(C)NCC1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)NC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C26H25Cl2N3/c1-26(2,3)30-16-17-12-19(18-4-6-20(27)7-5-18)14-22(13-17)31-24-10-11-29-25-15-21(28)8-9-23(24)25/h4-15,30H,16H2,1-3H3,(H,29,31)