N-[4-(azepan-1-yl)phenyl]-2-(7-nitro-2-oxidanylidene-3-pyrrolidin-1-yl-quinoxalin-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(7-nitro-2-oxidanylidene-3-pyrrolidin-1-yl-quinoxalin-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(7-nitro-2-oxo-3-pyrrolidin-1-yl-quinoxalin-1-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[7-nitro-2-oxo-3-(1-pyrrolidinyl)-1-quinoxalinyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(7-nitro-2-oxo-3-pyrrolidin-1-ylquinoxalin-1-yl)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(2-keto-7-nitro-3-pyrrolidino-quinoxalin-1-yl)acetamide Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])N=C(C3=O)N5CCCC5

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])N=C(C3=O)N5CCCC5

InChI

InChI=1S/C26H30N6O4/c33-24(27-19-7-9-20(10-8-19)29-13-3-1-2-4-14-29)18-31-23-17-21(32(35)36)11-12-22(23)28-25(26(31)34)30-15-5-6-16-30/h7-12,17H,1-6,13-16,18H2,(H,27,33)