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

Systemtic Name: [4-[methyl-[3-(2-methylbutan-2-ylamino)pyridin-2-yl]amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone Openeye Name: [4-[[3-(1,1-dimethylpropylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]-(5-nitro-1H-indol-2-yl)methanone CAS Name: [4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]-1-piperidinyl]-(5-nitro-1H-indol-2-yl)methanone IUPAC Name: [4-[methyl-[3-(2-methylbutan-2-ylamino)pyridin-2-yl]amino]piperidin-1-yl]-(5-nitro-1H-indol-2-yl)methanone Traditional Name: [4-[[3-(tert-amylamino)-2-pyridyl]-methyl-amino]piperidino]-(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)N(C)C2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC1=C(N=CC=C1)N(C)C2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]

InChI

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