methyl 2-[(3-cyanophenyl)methyl]-3-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(6-piperazin-1-ylpyridin-3-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-[6-(1-piperazinyl)-3-pyridinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(6-piperazin-1-ylpyridine-3-carbonyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[(6-piperazinonicotinoyl)amino]butyric acid methyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CN=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CN=C(C=C2)N3CCNCC3

InChI

InChI=1S/C23H27N5O3/c1-16(20(23(30)31-2)13-17-4-3-5-18(12-17)14-24)27-22(29)19-6-7-21(26-15-19)28-10-8-25-9-11-28/h3-7,12,15-16,20,25H,8-11,13H2,1-2H3,(H,27,29)