2-[cyanomethyl-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[[6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C25H24N8O2 MolecularWeight: 468.51046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)N(CC#N)CC#N)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N8O2/c26-11-13-31(14-12-27)24-23(33(34)35)25(29-19-28-24)32-17-15-30(16-18-32)22(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,19,22H,13-18H2