2-[[5-oxidanylidene-1-[(1-phenethylpiperidin-4-yl)methyl]-2H-pyrrol-3-yl]amino]benzenecarbonitrile

Systemtic Name: 2-[[5-oxidanylidene-1-[(1-phenethylpiperidin-4-yl)methyl]-2H-pyrrol-3-yl]amino]benzenecarbonitrile Openeye Name: 2-[[5-oxo-1-[(1-phenethyl-4-piperidyl)methyl]-2H-pyrrol-3-yl]amino]benzonitrile CAS Name: 2-[[5-oxo-1-[(1-phenethyl-4-piperidinyl)methyl]-2H-pyrrol-3-yl]amino]benzonitrile IUPAC Name: 2-[[5-oxo-1-[(1-phenethylpiperidin-4-yl)methyl]-2H-pyrrol-3-yl]amino]benzonitrile Traditional Name: 2-[[5-keto-1-[(1-phenethyl-4-piperidyl)methyl]-3-pyrrolin-3-yl]amino]benzonitrile Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC(=CC2=O)NC3=CC=CC=C3C#N)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CN2CC(=CC2=O)NC3=CC=CC=C3C#N)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c26-17-22-8-4-5-9-24(22)27-23-16-25(30)29(19-23)18-21-11-14-28(15-12-21)13-10-20-6-2-1-3-7-20/h1-9,16,21,27H,10-15,18-19H2