4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid

Systemtic Name: 4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-piperazin-1-yl-butanoic acid Openeye Name: 4-(2-cyanoanilino)-4-oxo-2-piperazin-1-yl-butanoic acid CAS Name: 4-(2-cyanoanilino)-4-oxo-2-(1-piperazinyl)butanoic acid IUPAC Name: 4-(2-cyanoanilino)-4-oxo-2-piperazin-1-ylbutanoic acid Traditional Name: 4-(2-cyanoanilino)-4-keto-2-piperazino-butyric acid Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC(=O)NC2=CC=CC=C2C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1)C(CC(=O)NC2=CC=CC=C2C#N)C(=O)O

InChI

InChI=1S/C15H18N4O3/c16-10-11-3-1-2-4-12(11)18-14(20)9-13(15(21)22)19-7-5-17-6-8-19/h1-4,13,17H,5-9H2,(H,18,20)(H,21,22)