(2R)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one

Systemtic Name: (2R)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one Openeye Name: (2R)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one CAS Name: (2R)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-1-methyl-2,3-dihydroquinazolin-4-one IUPAC Name: (2R)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one Traditional Name: (2R)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C4NC(=O)C5=CC=CC=C5N4C

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)[C@@H]4NC(=O)C5=CC=CC=C5N4C

InChI

InChI=1S/C22H22N4O3/c1-25-13-16(21-23-22(27)15-6-3-4-7-17(15)26(21)2)20(24-25)14-8-9-18-19(12-14)29-11-5-10-28-18/h3-4,6-9,12-13,21H,5,10-11H2,1-2H3,(H,23,27)/t21-/m1/s1