3-[1-(3-azanylpropyl)-6-phenylmethoxy-indol-3-yl]-7-nitro-1H-quinoxalin-2-one

Systemtic Name: 3-[1-(3-azanylpropyl)-6-phenylmethoxy-indol-3-yl]-7-nitro-1H-quinoxalin-2-one Openeye Name: 3-[1-(3-aminopropyl)-6-benzyloxy-indol-3-yl]-7-nitro-1H-quinoxalin-2-one CAS Name: 3-[1-(3-aminopropyl)-6-phenylmethoxy-3-indolyl]-7-nitro-1H-quinoxalin-2-one IUPAC Name: 3-[1-(3-aminopropyl)-6-phenylmethoxyindol-3-yl]-7-nitro-1H-quinoxalin-2-one Traditional Name: 3-[1-(3-aminopropyl)-6-benzoxy-indol-3-yl]-7-nitro-1H-quinoxalin-2-one Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3CCCN)C4=NC5=C(C=C(C=C5)[N+](=O)[O-])NC4=O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=CN3CCCN)C4=NC5=C(C=C(C=C5)[N+](=O)[O-])NC4=O

InChI

InChI=1S/C26H23N5O4/c27-11-4-12-30-15-21(25-26(32)29-23-13-18(31(33)34)7-10-22(23)28-25)20-9-8-19(14-24(20)30)35-16-17-5-2-1-3-6-17/h1-3,5-10,13-15H,4,11-12,16,27H2,(H,29,32)