3-[3-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(6-chloro-4-oxo-quinazolin-3-yl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(6-chloro-4-oxo-3-quinazolinyl)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(6-chloro-4-keto-quinazolin-3-yl)acetyl]indol-1-yl]propionitrile Formula: C21H15ClN4O2 MolecularWeight: 390.8224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN4O2/c22-14-6-7-18-16(10-14)21(28)26(13-24-18)12-20(27)17-11-25(9-3-8-23)19-5-2-1-4-15(17)19/h1-2,4-7,10-11,13H,3,9,12H2