N-butyl-N-[(1R)-1-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]hexanamide

Systemtic Name: N-butyl-N-[(1R)-1-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]hexanamide Openeye Name: N-butyl-N-[(1R)-1-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]ethyl]hexanamide CAS Name: N-butyl-N-[(1R)-1-[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]hexanamide IUPAC Name: N-butyl-N-[(1R)-1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide Traditional Name: N-butyl-N-[(1R)-1-[4-keto-3-(o-tolyl)quinazolin-2-yl]ethyl]hexanamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CCCC)C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCCCC(=O)N(CCCC)[C@H](C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C27H35N3O2/c1-5-7-9-18-25(31)29(19-8-6-2)21(4)26-28-23-16-12-11-15-22(23)27(32)30(26)24-17-13-10-14-20(24)3/h10-17,21H,5-9,18-19H2,1-4H3/t21-/m1/s1