N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanamide Openeye Name: N-[(4S)-chroman-4-yl]-3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3-oxo-4-phenethylquinoxalin-2-yl)propanamide Traditional Name: N-[(4S)-chroman-4-yl]-3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionamide Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c32-27(30-22-17-19-34-26-13-7-4-10-21(22)26)15-14-24-28(33)31(18-16-20-8-2-1-3-9-20)25-12-6-5-11-23(25)29-24/h1-13,22H,14-19H2,(H,30,32)/t22-/m0/s1