1-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]azepane

Systemtic Name: 1-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]azepane Openeye Name: 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]azepane CAS Name: 1-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]azepane IUPAC Name: 1-[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]azepane Traditional Name: 1-[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]azepane Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H32N6O2/c34-33(35)25-26(31-15-9-1-2-10-16-31)28-21-29-27(25)32-19-17-30(18-20-32)24(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,21,24H,1-2,9-10,15-20H2