ethyl 5-azanyl-1-[4-[(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[(1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[[1-methyl-2-oxo-2-(1-piperidyl)ethyl]carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[oxo-[[1-oxo-1-(1-piperidinyl)propan-2-yl]amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(2-keto-1-methyl-2-piperidino-ethyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)C(=O)N3CCCCC3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)C(=O)N3CCCCC3)N

InChI

InChI=1S/C21H27N5O4/c1-3-30-21(29)17-13-23-26(18(17)22)16-9-7-15(8-10-16)19(27)24-14(2)20(28)25-11-5-4-6-12-25/h7-10,13-14H,3-6,11-12,22H2,1-2H3,(H,24,27)