2-oxidanylidene-5-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 2-oxidanylidene-5-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 5-[(1-benzylpyrazole-4-carbonyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 2-oxo-5-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 5-[(1-benzylpyrazole-4-carbonyl)amino]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 5-[(1-benzylpyrazole-4-carbonyl)amino]-2-keto-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)NC(=O)C(=C2)C(=O)N)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(C2=C(C1)NC(=O)C(=C2)C(=O)N)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c22-19(27)16-9-15-17(7-4-8-18(15)25-21(16)29)24-20(28)14-10-23-26(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,17H,4,7-8,11H2,(H2,22,27)(H,24,28)(H,25,29)