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

Systemtic Name: (2S)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-allyl-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-allyl-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-1,2-dihydroquinazolin-4-one Formula: C24H24N4O3 MolecularWeight: 416.47236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C4NC5=CC=CC=C5C(=O)N4CC=C

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)[C@H]4NC5=CC=CC=C5C(=O)N4CC=C

InChI

InChI=1S/C24H24N4O3/c1-3-11-28-23(25-19-8-5-4-7-17(19)24(28)29)18-15-27(2)26-22(18)16-9-10-20-21(14-16)31-13-6-12-30-20/h3-5,7-10,14-15,23,25H,1,6,11-13H2,2H3/t23-/m0/s1