N1-(3-cyanophenyl)-N2-(furan-2-ylmethyl)-4-(phenylmethyl)piperazine-1,2-dicarboxamide

Systemtic Name: N1-(3-cyanophenyl)-N2-(furan-2-ylmethyl)-4-(phenylmethyl)piperazine-1,2-dicarboxamide Openeye Name: 4-benzyl-N1-(3-cyanophenyl)-N2-(2-furylmethyl)piperazine-1,2-dicarboxamide CAS Name: N1-(3-cyanophenyl)-N2-(2-furanylmethyl)-4-(phenylmethyl)piperazine-1,2-dicarboxamide IUPAC Name: 4-benzyl-1-N-(3-cyanophenyl)-2-N-(furan-2-ylmethyl)piperazine-1,2-dicarboxamide Traditional Name: 4-benzyl-N-(3-cyanophenyl)-N'-(2-furfuryl)piperazine-1,2-dicarboxamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)C(=O)NCC3=CC=CO3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)C(=O)NCC3=CC=CO3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H25N5O3/c26-15-20-8-4-9-21(14-20)28-25(32)30-12-11-29(17-19-6-2-1-3-7-19)18-23(30)24(31)27-16-22-10-5-13-33-22/h1-10,13-14,23H,11-12,16-18H2,(H,27,31)(H,28,32)