tert-butyl N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazin-1-yl]-3-oxo-1-phenyl-propyl]carbamate CAS Name: N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]-1-piperazinyl]-3-oxo-1-phenylpropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]carbamate Traditional Name: N-[3-[4-[cyano-(2-methyl-3-pyridyl)methyl]piperazino]-3-keto-1-phenyl-propyl]carbamic acid tert-butyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=N1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H33N5O3/c1-19-21(11-8-12-28-19)23(18-27)30-13-15-31(16-14-30)24(32)17-22(20-9-6-5-7-10-20)29-25(33)34-26(2,3)4/h5-12,22-23H,13-17H2,1-4H3,(H,29,33)