(4S)-4-(3-morpholin-4-ylpropyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-(3-morpholin-4-ylpropyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(3-morpholinopropyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(4-morpholinyl)propyliminomethyl]-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(3-morpholin-4-ylpropyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(3-morpholinopropyliminomethyl)-2-(2-nitrophenyl)-4H-isoquinoline-1,3-quinone Formula: C23H24N4O5 MolecularWeight: 436.46046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCN=C[C@@H]2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O5/c28-22-18-7-2-1-6-17(18)19(16-24-10-5-11-25-12-14-32-15-13-25)23(29)26(22)20-8-3-4-9-21(20)27(30)31/h1-4,6-9,16,19H,5,10-15H2/t19-/m1/s1