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

Systemtic Name: 6-iodanyl-2-[(Z)-[2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]methyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(Z)-(1-benzyl-2-oxo-indolin-3-ylidene)methyl]-3-(3-hydroxypropyl)-6-iodo-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-6-iodo-2-[(Z)-[2-oxo-1-(phenylmethyl)-3-indolylidene]methyl]-4-quinazolinone IUPAC Name: 2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)methyl]-3-(3-hydroxypropyl)-6-iodoquinazolin-4-one Traditional Name: 2-[(Z)-(1-benzyl-2-keto-indolin-3-ylidene)methyl]-3-(3-hydroxypropyl)-6-iodo-quinazolin-4-one Formula: C27H22IN3O3 MolecularWeight: 563.38635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC4=NC5=C(C=C(C=C5)I)C(=O)N4CCCO)C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/C4=NC5=C(C=C(C=C5)I)C(=O)N4CCCO)/C2=O

InChI

InChI=1S/C27H22IN3O3/c28-19-11-12-23-22(15-19)27(34)30(13-6-14-32)25(29-23)16-21-20-9-4-5-10-24(20)31(26(21)33)17-18-7-2-1-3-8-18/h1-5,7-12,15-16,32H,6,13-14,17H2/b21-16-