5-oxidanylidene-1,4,7-triphenyl-3-piperidin-1-yl-1,2,4-triazepine-6-carbonitrile

Systemtic Name: 5-oxidanylidene-1,4,7-triphenyl-3-piperidin-1-yl-1,2,4-triazepine-6-carbonitrile Openeye Name: 5-oxo-1,4,7-triphenyl-3-(1-piperidyl)-1,2,4-triazepine-6-carbonitrile CAS Name: 5-oxo-1,4,7-triphenyl-3-(1-piperidinyl)-1,2,4-triazepine-6-carbonitrile IUPAC Name: 5-oxo-1,4,7-triphenyl-3-piperidin-1-yl-1,2,4-triazepine-6-carbonitrile Traditional Name: 5-keto-1,4,7-triphenyl-3-piperidino-1,2,4-triazepine-6-carbonitrile Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN(C(=C(C(=O)N2C3=CC=CC=C3)C#N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NN(C(=C(C(=O)N2C3=CC=CC=C3)C#N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O/c29-21-25-26(22-13-5-1-6-14-22)33(24-17-9-3-10-18-24)30-28(31-19-11-4-12-20-31)32(27(25)34)23-15-7-2-8-16-23/h1-3,5-10,13-18H,4,11-12,19-20H2