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

Systemtic Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-3-phenethyl-1,2-dihydroquinazolin-4-one Openeye Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-3-phenethyl-1,2-dihydroquinazolin-4-one CAS Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-3-phenethyl-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-3-phenethyl-1,2-dihydroquinazolin-4-one Traditional Name: 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]-3-phenethyl-1,2-dihydroquinazolin-4-one Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C4NC5=CC=CC=C5C(=O)N4CCC6=CC=CC=C6

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C4NC5=CC=CC=C5C(=O)N4CCC6=CC=CC=C6

InChI

InChI=1S/C29H28N4O3/c1-32-19-23(27(31-32)21-12-13-25-26(18-21)36-17-7-16-35-25)28-30-24-11-6-5-10-22(24)29(34)33(28)15-14-20-8-3-2-4-9-20/h2-6,8-13,18-19,28,30H,7,14-17H2,1H3