(3R)-N-[6-chloranyl-2-[3-(3-oxidanylpropylamino)propyl]quinolin-5-yl]-3-phenyl-butanamide

Systemtic Name: (3R)-N-[6-chloranyl-2-[3-(3-oxidanylpropylamino)propyl]quinolin-5-yl]-3-phenyl-butanamide Openeye Name: (3R)-N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]-5-quinolyl]-3-phenyl-butanamide CAS Name: (3R)-N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]-5-quinolinyl]-3-phenylbutanamide IUPAC Name: (3R)-N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]quinolin-5-yl]-3-phenylbutanamide Traditional Name: (3R)-N-[6-chloro-2-[3-(3-hydroxypropylamino)propyl]-5-quinolyl]-3-phenyl-butyramide Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=CC2=C1C=CC(=N2)CCCNCCCO)Cl)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)NC1=C(C=CC2=C1C=CC(=N2)CCCNCCCO)Cl)C3=CC=CC=C3

InChI

InChI=1S/C25H30ClN3O2/c1-18(19-7-3-2-4-8-19)17-24(31)29-25-21-11-10-20(9-5-14-27-15-6-16-30)28-23(21)13-12-22(25)26/h2-4,7-8,10-13,18,27,30H,5-6,9,14-17H2,1H3,(H,29,31)/t18-/m1/s1