1-(2-phenoxyphenyl)-2-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(2-phenoxyphenyl)-2-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 2-(4-benzylpiperidine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrole-3-carbonitrile CAS Name: 2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-(2-phenoxyphenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-(4-benzylpiperidine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrole-3-carbonitrile Traditional Name: 2-(4-benzylpiperidine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrole-3-carbonitrile Formula: C30H27N3O2 MolecularWeight: 461.55428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C=CN3C4=CC=CC=C4OC5=CC=CC=C5)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(C=CN3C4=CC=CC=C4OC5=CC=CC=C5)C#N

InChI

InChI=1S/C30H27N3O2/c31-22-25-17-20-33(27-13-7-8-14-28(27)35-26-11-5-2-6-12-26)29(25)30(34)32-18-15-24(16-19-32)21-23-9-3-1-4-10-23/h1-14,17,20,24H,15-16,18-19,21H2