3-(1H-imidazol-5-ylmethyl)-7-nitro-5-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-(1H-imidazol-5-ylmethyl)-7-nitro-5-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-(1H-imidazol-5-ylmethyl)-7-nitro-5-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-(1H-imidazol-5-ylmethyl)-7-nitro-5-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-(1H-imidazol-5-ylmethyl)-7-nitro-5-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-(1H-imidazol-5-ylmethyl)-7-nitro-5-(pyrrolidinomethyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC3=C2NC(C(=O)N3)CC4=CN=CN4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC3=C2NC(C(=O)N3)CC4=CN=CN4)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3/c24-17-15(6-12-8-18-10-19-12)20-16-11(9-22-3-1-2-4-22)5-13(23(25)26)7-14(16)21-17/h5,7-8,10,15,20H,1-4,6,9H2,(H,18,19)(H,21,24)