tert-butyl 3-methyl-5-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-methyl-5-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-1-carboxylate Openeye Name: tert-butyl 3-methyl-5-oxo-4-[[1-(4-pyridyl)-4-piperidyl]amino]piperazine-1-carboxylate CAS Name: 3-methyl-5-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)amino]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-5-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazine-1-carboxylate Traditional Name: 3-keto-5-methyl-4-[[1-(4-pyridyl)-4-piperidyl]amino]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N5O3 MolecularWeight: 389.49184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(=O)N1NC2CCN(CC2)C3=CC=NC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CN(CC(=O)N1NC2CCN(CC2)C3=CC=NC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N5O3/c1-15-13-24(19(27)28-20(2,3)4)14-18(26)25(15)22-16-7-11-23(12-8-16)17-5-9-21-10-6-17/h5-6,9-10,15-16,22H,7-8,11-14H2,1-4H3