6-[4-[[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-[4-[[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile Openeye Name: 6-[4-[[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]methyl]phenyl]-5-phenyl-pyridine-3-carbonitrile CAS Name: 6-[4-[[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]methyl]phenyl]-5-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-[4-[[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile Traditional Name: 6-[4-[[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]methyl]phenyl]-5-phenyl-nicotinonitrile Formula: C32H28N4O2 MolecularWeight: 500.59032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC4=CC=C(C=C4)C5=C(C=C(C=N5)C#N)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC4=CC=C(C=C4)C5=C(C=C(C=N5)C#N)C6=CC=CC=C6

InChI

InChI=1S/C32H28N4O2/c33-19-24-18-29(25-6-2-1-3-7-25)31(34-20-24)26-12-10-23(11-13-26)21-35-16-14-28(15-17-35)36-30-9-5-4-8-27(30)22-38-32(36)37/h1-13,18,20,28H,14-17,21-22H2