6-iodanyl-3-(phenylmethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one

Systemtic Name: 6-iodanyl-3-(phenylmethyl)-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one Openeye Name: 3-benzyl-6-iodo-2-[(E)-2-(3-pyridyl)vinyl]quinazolin-4-one CAS Name: 6-iodo-3-(phenylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4-quinazolinone IUPAC Name: 3-benzyl-6-iodo-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one Traditional Name: 3-benzyl-6-iodo-2-[(E)-2-(3-pyridyl)vinyl]quinazolin-4-one Formula: C22H16IN3O MolecularWeight: 465.28641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C22H16IN3O/c23-18-9-10-20-19(13-18)22(27)26(15-17-5-2-1-3-6-17)21(25-20)11-8-16-7-4-12-24-14-16/h1-14H,15H2/b11-8+