tert-butyl N-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-4-oxo-butyl]carbamate CAS Name: N-[4-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-4-oxobutyl]carbamate Traditional Name: N-[4-keto-4-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butyl]carbamic acid tert-butyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)N(C)CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)N(C)CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H28N4O3/c1-20(2,3)27-19(26)21-12-8-11-18(25)23(4)14-16-13-22-24(15-16)17-9-6-5-7-10-17/h5-7,9-10,13,15H,8,11-12,14H2,1-4H3,(H,21,26)