3-[3-[(Z)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(Z)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(Z)-(2-methyl-4-oxo-quinazolin-3-yl)iminomethyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(Z)-(2-methyl-4-oxo-3-quinazolinyl)iminomethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(Z)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(Z)-(4-keto-2-methyl-quinazolin-3-yl)iminomethyl]indol-1-yl]propionitrile Formula: C21H17N5O MolecularWeight: 355.39258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1/N=C\C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H17N5O/c1-15-24-19-9-4-2-8-18(19)21(27)26(15)23-13-16-14-25(12-6-11-22)20-10-5-3-7-17(16)20/h2-5,7-10,13-14H,6,12H2,1H3/b23-13-