3-[(3S)-3-(4-dimethylaminophenyl)-3-(pyridin-4-ylmethylamino)propanoyl]-1-methyl-2-oxidanyl-quinolin-4-one

Systemtic Name: 3-[(3S)-3-(4-dimethylaminophenyl)-3-(pyridin-4-ylmethylamino)propanoyl]-1-methyl-2-oxidanyl-quinolin-4-one Openeye Name: 3-[(3S)-3-(4-dimethylaminophenyl)-3-(4-pyridylmethylamino)propanoyl]-2-hydroxy-1-methyl-quinolin-4-one CAS Name: 3-[(3S)-3-(4-dimethylaminophenyl)-1-oxo-3-(pyridin-4-ylmethylamino)propyl]-2-hydroxy-1-methyl-4-quinolinone IUPAC Name: 3-[(3S)-3-(4-dimethylaminophenyl)-3-(pyridin-4-ylmethylamino)propanoyl]-2-hydroxy-1-methylquinolin-4-one Traditional Name: 3-[(3S)-3-(4-dimethylaminophenyl)-3-(4-pyridylmethylamino)propanoyl]-2-hydroxy-1-methyl-4-quinolone Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)CC(C3=CC=C(C=C3)N(C)C)NCC4=CC=NC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C[C@@H](C3=CC=C(C=C3)N(C)C)NCC4=CC=NC=C4

InChI

InChI=1S/C27H28N4O3/c1-30(2)20-10-8-19(9-11-20)22(29-17-18-12-14-28-15-13-18)16-24(32)25-26(33)21-6-4-5-7-23(21)31(3)27(25)34/h4-15,22,29,34H,16-17H2,1-3H3/t22-/m0/s1