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

Systemtic Name: [1-methyl-4-[[3-(2-methylbutan-2-ylamino)pyridin-2-yl]amino]piperidin-2-yl]-(5-nitro-1H-indol-2-yl)methanone Openeye Name: [4-[[3-(1,1-dimethylpropylamino)-2-pyridyl]amino]-1-methyl-2-piperidyl]-(5-nitro-1H-indol-2-yl)methanone CAS Name: [1-methyl-4-[[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]-2-piperidinyl]-(5-nitro-1H-indol-2-yl)methanone IUPAC Name: [1-methyl-4-[[3-(2-methylbutan-2-ylamino)pyridin-2-yl]amino]piperidin-2-yl]-(5-nitro-1H-indol-2-yl)methanone Traditional Name: [4-[[3-(tert-amylamino)-2-pyridyl]amino]-1-methyl-2-piperidyl]-(5-nitro-1H-indol-2-yl)methanone Formula: C25H32N6O3 MolecularWeight: 464.55998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(N=CC=C1)NC2CCN(C(C2)C(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)(C)NC1=C(N=CC=C1)NC2CCN(C(C2)C(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H32N6O3/c1-5-25(2,3)29-20-7-6-11-26-24(20)27-17-10-12-30(4)22(15-17)23(32)21-14-16-13-18(31(33)34)8-9-19(16)28-21/h6-9,11,13-14,17,22,28-29H,5,10,12,15H2,1-4H3,(H,26,27)