4-[1-(4-azanylbutyl)indol-3-yl]-3-(3-nitrophenyl)-2-oxidanylidene-1H-imidazole-5-carbonitrile

Systemtic Name: 4-[1-(4-azanylbutyl)indol-3-yl]-3-(3-nitrophenyl)-2-oxidanylidene-1H-imidazole-5-carbonitrile Openeye Name: 4-[1-(4-aminobutyl)indol-3-yl]-3-(3-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile CAS Name: 4-[1-(4-aminobutyl)-3-indolyl]-3-(3-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile IUPAC Name: 4-[1-(4-aminobutyl)indol-3-yl]-3-(3-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile Traditional Name: 5-[1-(4-aminobutyl)indol-3-yl]-2-keto-1-(3-nitrophenyl)-4-imidazoline-4-carbonitrile Formula: C22H20N6O3 MolecularWeight: 416.4326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCCN)C3=C(NC(=O)N3C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCCN)C3=C(NC(=O)N3C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H20N6O3/c23-10-3-4-11-26-14-18(17-8-1-2-9-20(17)26)21-19(13-24)25-22(29)27(21)15-6-5-7-16(12-15)28(30)31/h1-2,5-9,12,14H,3-4,10-11,23H2,(H,25,29)