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

Systemtic Name: 2-[[5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]indol-1-yl]methyl]-3-chloranyl-benzenecarbonitrile Openeye Name: 2-[[5-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]indol-1-yl]methyl]-3-chloro-benzonitrile CAS Name: 2-[[5-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-1-indolyl]methyl]-3-chlorobenzonitrile IUPAC Name: 2-[[5-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]indol-1-yl]methyl]-3-chlorobenzonitrile Traditional Name: 2-[[5-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]indol-1-yl]methyl]-3-chloro-benzonitrile Formula: C30H27ClN4O MolecularWeight: 495.01458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=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)N1CC3=CC4=C(C=C3)N(C=C4)CC5=C(C=CC=C5Cl)C#N

InChI

InChI=1S/C30H27ClN4O/c1-3-4-8-29-33-27-11-9-20(2)15-24(27)30(36)35(29)18-21-10-12-28-22(16-21)13-14-34(28)19-25-23(17-32)6-5-7-26(25)31/h5-7,9-16H,3-4,8,18-19H2,1-2H3