3-[[4-[4-(cyclopropylmethyl)-3-oxidanylidene-2-phenyl-piperazin-1-yl]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(cyclopropylmethyl)-3-oxidanylidene-2-phenyl-piperazin-1-yl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-[4-(cyclopropylmethyl)-3-oxo-2-phenyl-piperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-[4-(cyclopropylmethyl)-3-oxo-2-phenyl-1-piperazinyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-[4-(cyclopropylmethyl)-3-oxo-2-phenylpiperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-[4-(cyclopropylmethyl)-3-keto-2-phenyl-piperazino]pyrimidin-2-yl]amino]benzonitrile Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CCN(C(C2=O)C3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CC1CN2CCN(C(C2=O)C3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H24N6O/c26-16-19-5-4-8-21(15-19)28-25-27-12-11-22(29-25)31-14-13-30(17-18-9-10-18)24(32)23(31)20-6-2-1-3-7-20/h1-8,11-12,15,18,23H,9-10,13-14,17H2,(H,27,28,29)