tert-butyl N-[4-cyano-5-methyl-2-[1-(phenylmethyl)piperidin-4-yl]pyrazol-3-yl]carbamate

Systemtic Name: tert-butyl N-[4-cyano-5-methyl-2-[1-(phenylmethyl)piperidin-4-yl]pyrazol-3-yl]carbamate Openeye Name: tert-butyl N-[2-(1-benzyl-4-piperidyl)-4-cyano-5-methyl-pyrazol-3-yl]carbamate CAS Name: N-[4-cyano-5-methyl-2-[1-(phenylmethyl)-4-piperidinyl]-3-pyrazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1-benzylpiperidin-4-yl)-4-cyano-5-methylpyrazol-3-yl]carbamate Traditional Name: N-[2-(1-benzyl-4-piperidyl)-4-cyano-5-methyl-pyrazol-3-yl]carbamic acid tert-butyl ester Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)NC(=O)OC(C)(C)C)C2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)NC(=O)OC(C)(C)C)C2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O2/c1-16-19(14-23)20(24-21(28)29-22(2,3)4)27(25-16)18-10-12-26(13-11-18)15-17-8-6-5-7-9-17/h5-9,18H,10-13,15H2,1-4H3,(H,24,28)