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

Systemtic Name: 2-[(1-ethyl-2-oxidanylidene-indol-3-ylidene)methyl]-6-iodanyl-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(1-ethyl-2-oxo-indolin-3-ylidene)methyl]-6-iodo-3-phenethyl-quinazolin-4-one CAS Name: 2-[(1-ethyl-2-oxo-3-indolylidene)methyl]-6-iodo-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(1-ethyl-2-oxoindol-3-ylidene)methyl]-6-iodo-3-phenethylquinazolin-4-one Traditional Name: 2-[(1-ethyl-2-keto-indolin-3-ylidene)methyl]-6-iodo-3-phenethyl-quinazolin-4-one Formula: C27H22IN3O2 MolecularWeight: 547.38695

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=CC3=NC4=C(C=C(C=C4)I)C(=O)N3CCC5=CC=CC=C5)C1=O

Isomeric SMILES

CCN1C2=CC=CC=C2C(=CC3=NC4=C(C=C(C=C4)I)C(=O)N3CCC5=CC=CC=C5)C1=O

InChI

InChI=1S/C27H22IN3O2/c1-2-30-24-11-7-6-10-20(24)21(26(30)32)17-25-29-23-13-12-19(28)16-22(23)27(33)31(25)15-14-18-8-4-3-5-9-18/h3-13,16-17H,2,14-15H2,1H3