2-tert-butyl-N-(4-chlorophenyl)-3a,5-dihydro-1H-pyrazolo[1,5-a]quinazoline-4-carboxamide

Systemtic Name: 2-tert-butyl-N-(4-chlorophenyl)-3a,5-dihydro-1H-pyrazolo[1,5-a]quinazoline-4-carboxamide Openeye Name: 2-tert-butyl-N-(4-chlorophenyl)-3a,5-dihydro-1H-pyrazolo[1,5-a]quinazoline-4-carboxamide CAS Name: 2-tert-butyl-N-(4-chlorophenyl)-3a,5-dihydro-1H-pyrazolo[1,5-a]quinazoline-4-carboxamide IUPAC Name: 2-tert-butyl-N-(4-chlorophenyl)-3a,5-dihydro-1H-pyrazolo[1,5-a]quinazoline-4-carboxamide Traditional Name: 2-tert-butyl-N-(4-chlorophenyl)-3a,5-dihydro-1H-pyrazolo[1,5-a]quinazoline-4-carboxamide Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2N(CC3=CC=CC=C3N2N1)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC2N(CC3=CC=CC=C3N2N1)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4O/c1-21(2,3)18-12-19-25(20(27)23-16-10-8-15(22)9-11-16)13-14-6-4-5-7-17(14)26(19)24-18/h4-12,19,24H,13H2,1-3H3,(H,23,27)