3-[4-(phenylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(phenylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[2-[oxo(1-pyrrolidinyl)methyl]-4-(phenylmethyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-benzyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CCN2C(=O)C3=CC=CC(=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2CN(CCN2C(=O)C3=CC=CC(=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c25-16-20-9-6-10-21(15-20)23(29)28-14-13-26(17-19-7-2-1-3-8-19)18-22(28)24(30)27-11-4-5-12-27/h1-3,6-10,15,22H,4-5,11-14,17-18H2