4-butoxy-3-(2-methylpentoxy)-1-octyl-7-[(phenylmethyl)amino]quinolin-2-one

Systemtic Name: 4-butoxy-3-(2-methylpentoxy)-1-octyl-7-[(phenylmethyl)amino]quinolin-2-one Openeye Name: 7-(benzylamino)-4-butoxy-3-(2-methylpentoxy)-1-octyl-quinolin-2-one CAS Name: 4-butoxy-3-(2-methylpentoxy)-1-octyl-7-[(phenylmethyl)amino]-2-quinolinone IUPAC Name: 7-(benzylamino)-4-butoxy-3-(2-methylpentoxy)-1-octylquinolin-2-one Traditional Name: 7-(benzylamino)-4-butoxy-3-(2-methylpentoxy)-1-octyl-carbostyril Formula: C34H50N2O3 MolecularWeight: 534.7724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=CC(=C2)NCC3=CC=CC=C3)C(=C(C1=O)OCC(C)CCC)OCCCC

Isomeric SMILES

CCCCCCCCN1C2=C(C=CC(=C2)NCC3=CC=CC=C3)C(=C(C1=O)OCC(C)CCC)OCCCC

InChI

InChI=1S/C34H50N2O3/c1-5-8-10-11-12-16-22-36-31-24-29(35-25-28-18-14-13-15-19-28)20-21-30(31)32(38-23-9-6-2)33(34(36)37)39-26-27(4)17-7-3/h13-15,18-21,24,27,35H,5-12,16-17,22-23,25-26H2,1-4H3