2-[(3,5-dimethylphenyl)amino]-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]quinoline-4-carboxamide

Systemtic Name: 2-[(3,5-dimethylphenyl)amino]-N-[3-[(phenylmethyl)-propan-2-yl-amino]propyl]quinoline-4-carboxamide Openeye Name: N-[3-[benzyl(isopropyl)amino]propyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide CAS Name: 2-(3,5-dimethylanilino)-N-[3-[(phenylmethyl)-propan-2-ylamino]propyl]-4-quinolinecarboxamide IUPAC Name: N-[3-[benzyl(propan-2-yl)amino]propyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide Traditional Name: N-[3-[benzyl(isopropyl)amino]propyl]-2-(3,5-dimethylanilino)cinchoninamide Formula: C31H36N4O MolecularWeight: 480.64374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(CC4=CC=CC=C4)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(CC4=CC=CC=C4)C(C)C)C

InChI

InChI=1S/C31H36N4O/c1-22(2)35(21-25-11-6-5-7-12-25)16-10-15-32-31(36)28-20-30(34-29-14-9-8-13-27(28)29)33-26-18-23(3)17-24(4)19-26/h5-9,11-14,17-20,22H,10,15-16,21H2,1-4H3,(H,32,36)(H,33,34)