[3-(2-methylbutan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]-(5-nitro-1H-indol-2-yl)methanone

Systemtic Name: [3-(2-methylbutan-2-ylamino)-4-pyridin-2-yl-piperazin-1-yl]-(5-nitro-1H-indol-2-yl)methanone Openeye Name: [3-(1,1-dimethylpropylamino)-4-(2-pyridyl)piperazin-1-yl]-(5-nitro-1H-indol-2-yl)methanone CAS Name: [3-(2-methylbutan-2-ylamino)-4-(2-pyridinyl)-1-piperazinyl]-(5-nitro-1H-indol-2-yl)methanone IUPAC Name: [3-(2-methylbutan-2-ylamino)-4-pyridin-2-ylpiperazin-1-yl]-(5-nitro-1H-indol-2-yl)methanone Traditional Name: [3-(tert-amylamino)-4-(2-pyridyl)piperazino]-(5-nitro-1H-indol-2-yl)methanone Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O3/c1-4-23(2,3)26-21-15-27(11-12-28(21)20-7-5-6-10-24-20)22(30)19-14-16-13-17(29(31)32)8-9-18(16)25-19/h5-10,13-14,21,25-26H,4,11-12,15H2,1-3H3