1-[(3-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-one Openeye Name: 4-(4-isopropylphenyl)-1-[(3-nitrophenyl)methyl]-6-prop-2-ynoxy-quinazolin-2-one CAS Name: 1-[(3-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinone IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one Traditional Name: 1-(3-nitrobenzyl)-4-p-cumenyl-6-propargyloxy-quinazolin-2-one Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O4/c1-4-14-34-23-12-13-25-24(16-23)26(21-10-8-20(9-11-21)18(2)3)28-27(31)29(25)17-19-6-5-7-22(15-19)30(32)33/h1,5-13,15-16,18H,14,17H2,2-3H3