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

Systemtic Name: 6-iodanyl-2-[(Z)-(2-oxidanylidene-1-propyl-indol-3-ylidene)methyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-[(Z)-(2-oxo-1-propyl-indolin-3-ylidene)methyl]quinazolin-4-one CAS Name: 6-iodo-2-[(Z)-(2-oxo-1-propyl-3-indolylidene)methyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-[(Z)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[(Z)-(2-keto-1-propyl-indolin-3-ylidene)methyl]quinazolin-4-one Formula: C27H22IN3O2 MolecularWeight: 547.38695

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=CC3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5)C1=O

Isomeric SMILES

CCCN1C2=CC=CC=C2/C(=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5)/C1=O

InChI

InChI=1S/C27H22IN3O2/c1-2-14-30-24-11-7-6-10-20(24)21(26(30)32)16-25-29-23-13-12-19(28)15-22(23)27(33)31(25)17-18-8-4-3-5-9-18/h3-13,15-16H,2,14,17H2,1H3/b21-16-