1-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]-4-phenyl-isonipecotonitrile Formula: C25H25N7O4 MolecularWeight: 487.5105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C(=O)C5=CC=CO5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C(=O)C5=CC=CO5)[N+](=O)[O-]

InChI

InChI=1S/C25H25N7O4/c26-17-25(19-5-2-1-3-6-19)8-10-29(11-9-25)22-21(32(34)35)23(28-18-27-22)30-12-14-31(15-13-30)24(33)20-7-4-16-36-20/h1-7,16,18H,8-15H2