N-(2-cyano-3-methyl-butan-2-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]propanamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazino]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)N1CCN(CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H29N5O/c1-16(2)21(4,15-23)24-20(27)17(3)26-11-9-25(10-12-26)14-19-7-5-18(13-22)6-8-19/h5-8,16-17H,9-12,14H2,1-4H3,(H,24,27)