N-[3-[(tert-butylamino)methyl]-2-methyl-5-phenyl-pyrrol-1-yl]-7-chloranyl-quinolin-4-amine

Systemtic Name: N-[3-[(tert-butylamino)methyl]-2-methyl-5-phenyl-pyrrol-1-yl]-7-chloranyl-quinolin-4-amine Openeye Name: N-[3-[(tert-butylamino)methyl]-2-methyl-5-phenyl-pyrrol-1-yl]-7-chloro-quinolin-4-amine CAS Name: N-[3-[(tert-butylamino)methyl]-2-methyl-5-phenyl-1-pyrrolyl]-7-chloro-4-quinolinamine IUPAC Name: N-[3-[(tert-butylamino)methyl]-2-methyl-5-phenylpyrrol-1-yl]-7-chloroquinolin-4-amine Traditional Name: tert-butyl-[[1-[(7-chloro-4-quinolyl)amino]-2-methyl-5-phenyl-pyrrol-3-yl]methyl]amine Formula: C25H27ClN4 MolecularWeight: 418.96168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=CC=C4)CNC(C)(C)C

Isomeric SMILES

CC1=C(C=C(N1NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=CC=C4)CNC(C)(C)C

InChI

InChI=1S/C25H27ClN4/c1-17-19(16-28-25(2,3)4)14-24(18-8-6-5-7-9-18)30(17)29-22-12-13-27-23-15-20(26)10-11-21(22)23/h5-15,28H,16H2,1-4H3,(H,27,29)