N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(2-pyrrolidinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(SC4=C3CCCC4)NC(=O)CN5CCCC5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(SC4=C3CCCC4)NC(=O)CN5CCCC5

InChI

InChI=1S/C26H31N5O3S/c1-17-23(26(34)31(29(17)2)18-10-4-3-5-11-18)28-24(33)22-19-12-6-7-13-20(19)35-25(22)27-21(32)16-30-14-8-9-15-30/h3-5,10-11H,6-9,12-16H2,1-2H3,(H,27,32)(H,28,33)