N'-[(3-cyanophenyl)methyl]-4-(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)piperazine-1-carboximidamide

Systemtic Name: N'-[(3-cyanophenyl)methyl]-4-(2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl)piperazine-1-carboximidamide Openeye Name: N'-[(3-cyanophenyl)methyl]-4-(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)piperazine-1-carboxamidine CAS Name: N'-[(3-cyanophenyl)methyl]-4-(2-cyclopentyl-2-hydroxy-1-oxo-2-phenylethyl)-1-piperazinecarboximidamide IUPAC Name: N'-[(3-cyanophenyl)methyl]-4-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)piperazine-1-carboximidamide Traditional Name: N'-(3-cyanobenzyl)-4-(2-cyclopentyl-2-hydroxy-2-phenyl-acetyl)piperazine-1-carboxamidine Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)N3CCN(CC3)C(=NCC4=CC=CC(=C4)C#N)N)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)N3CCN(CC3)C(=NCC4=CC=CC(=C4)C#N)N)O

InChI

InChI=1S/C26H31N5O2/c27-18-20-7-6-8-21(17-20)19-29-25(28)31-15-13-30(14-16-31)24(32)26(33,23-11-4-5-12-23)22-9-2-1-3-10-22/h1-3,6-10,17,23,33H,4-5,11-16,19H2,(H2,28,29)