2-[[5-(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)indol-1-yl]methyl]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[[5-(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)indol-1-yl]methyl]-3-chloranyl-benzenecarbonitrile Openeye Name: 2-[[5-(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)indol-1-yl]methyl]-3-chloro-benzonitrile CAS Name: 2-[[5-(2-butyl-6-methyl-4-oxo-3-quinazolinyl)-1-indolyl]methyl]-3-chlorobenzonitrile IUPAC Name: 2-[[5-(2-butyl-6-methyl-4-oxoquinazolin-3-yl)indol-1-yl]methyl]-3-chlorobenzonitrile Traditional Name: 2-[[5-(2-butyl-4-keto-6-methyl-quinazolin-3-yl)indol-1-yl]methyl]-3-chloro-benzonitrile Formula: C29H25ClN4O MolecularWeight: 480.988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1C3=CC4=C(C=C3)N(C=C4)CC5=C(C=CC=C5Cl)C#N

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1C3=CC4=C(C=C3)N(C=C4)CC5=C(C=CC=C5Cl)C#N

InChI

InChI=1S/C29H25ClN4O/c1-3-4-8-28-32-26-11-9-19(2)15-23(26)29(35)34(28)22-10-12-27-20(16-22)13-14-33(27)18-24-21(17-31)6-5-7-25(24)30/h5-7,9-16H,3-4,8,18H2,1-2H3