4-[4-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]-1H-indole

Systemtic Name: 4-[4-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]-1H-indole Openeye Name: 4-[4-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]-1H-indole CAS Name: 4-[4-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-1H-indole IUPAC Name: 4-[4-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-indole Traditional Name: 4-[4-(5-nitro-6-piperidino-pyrimidin-4-yl)piperazino]-1H-indole Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC5=C4C=CN5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C4=CC=CC5=C4C=CN5)[N+](=O)[O-]

InChI

InChI=1S/C21H25N7O2/c29-28(30)19-20(26-9-2-1-3-10-26)23-15-24-21(19)27-13-11-25(12-14-27)18-6-4-5-17-16(18)7-8-22-17/h4-8,15,22H,1-3,9-14H2