3-cyclopropyl-2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one

Systemtic Name: 3-cyclopropyl-2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one Openeye Name: 2-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one CAS Name: 3-cyclopropyl-2-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-1,2-dihydroquinazolin-4-one IUPAC Name: 2-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one Traditional Name: 2-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(NC3=CC=CC=C3C2=O)C4=CN(N=C4C5=CC=CS5)CC6=CC=CC=C6

Isomeric SMILES

C1CC1N2C(NC3=CC=CC=C3C2=O)C4=CN(N=C4C5=CC=CS5)CC6=CC=CC=C6

InChI

InChI=1S/C25H22N4OS/c30-25-19-9-4-5-10-21(19)26-24(29(25)18-12-13-18)20-16-28(15-17-7-2-1-3-8-17)27-23(20)22-11-6-14-31-22/h1-11,14,16,18,24,26H,12-13,15H2