1-(5-nitroindol-1-yl)-4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-2-carbaldehyde

Systemtic Name: 1-(5-nitroindol-1-yl)-4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-2-carbaldehyde Openeye Name: 4-[3-(isopropylamino)-2-pyridyl]-1-(5-nitroindol-1-yl)piperazine-2-carbaldehyde CAS Name: 1-(5-nitro-1-indolyl)-4-[3-(propan-2-ylamino)-2-pyridinyl]-2-piperazinecarboxaldehyde IUPAC Name: 1-(5-nitroindol-1-yl)-4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-2-carbaldehyde Traditional Name: 4-[3-(isopropylamino)-2-pyridyl]-1-(5-nitroindol-1-yl)piperazine-2-carbaldehyde Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O3/c1-15(2)23-19-4-3-8-22-21(19)24-10-11-25(18(13-24)14-28)26-9-7-16-12-17(27(29)30)5-6-20(16)26/h3-9,12,14-15,18,23H,10-11,13H2,1-2H3