4-[3-(tert-butylamino)pyridin-2-yl]-1-(5-nitroindol-1-yl)piperazine-2-carbaldehyde

Systemtic Name: 4-[3-(tert-butylamino)pyridin-2-yl]-1-(5-nitroindol-1-yl)piperazine-2-carbaldehyde Openeye Name: 4-[3-(tert-butylamino)-2-pyridyl]-1-(5-nitroindol-1-yl)piperazine-2-carbaldehyde CAS Name: 4-[3-(tert-butylamino)-2-pyridinyl]-1-(5-nitro-1-indolyl)-2-piperazinecarboxaldehyde IUPAC Name: 4-[3-(tert-butylamino)pyridin-2-yl]-1-(5-nitroindol-1-yl)piperazine-2-carbaldehyde Traditional Name: 4-[3-(tert-butylamino)-2-pyridyl]-1-(5-nitroindol-1-yl)piperazine-2-carbaldehyde Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(N=CC=C1)N2CCN(C(C2)C=O)N3C=CC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O3/c1-22(2,3)24-19-5-4-9-23-21(19)25-11-12-26(18(14-25)15-29)27-10-8-16-13-17(28(30)31)6-7-20(16)27/h4-10,13,15,18,24H,11-12,14H2,1-3H3