6-iodanyl-2-[(Z)-(1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 6-iodanyl-2-[(Z)-(1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-[(Z)-(1-methyl-2-oxo-indolin-3-ylidene)methyl]quinazolin-4-one CAS Name: 6-iodo-2-[(Z)-(1-methyl-2-oxo-3-indolylidene)methyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-[(Z)-(1-methyl-2-oxoindol-3-ylidene)methyl]quinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[(Z)-(2-keto-1-methyl-indolin-3-ylidene)methyl]quinazolin-4-one Formula: C25H18IN3O2 MolecularWeight: 519.33379

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5)C1=O

Isomeric SMILES

CN1C2=CC=CC=C2/C(=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5)/C1=O

InChI

InChI=1S/C25H18IN3O2/c1-28-22-10-6-5-9-18(22)19(24(28)30)14-23-27-21-12-11-17(26)13-20(21)25(31)29(23)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3/b19-14-