2-[1-(2-methylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide

Systemtic Name: 2-[1-(2-methylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-piperazin-2-yl)acetamide CAS Name: 2-[1-(2-methylpropyl)-3-oxo-2-piperazinyl]-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]acetamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-(1-isobutyl-3-keto-piperazin-2-yl)acetamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCNC(=O)C1CC(=O)NCC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1CCNC(=O)C1CC(=O)NCC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-16(2)13-25-9-8-22-21(28)19(25)10-20(27)23-11-18-12-24-26(15-18)14-17-6-4-3-5-7-17/h3-7,12,15-16,19H,8-11,13-14H2,1-2H3,(H,22,28)(H,23,27)