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

Systemtic Name: N-butyl-N-[(1R)-1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]hexanamide Openeye Name: N-butyl-N-[(1R)-1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]ethyl]hexanamide CAS Name: N-butyl-N-[(1R)-1-[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]hexanamide IUPAC Name: N-butyl-N-[(1R)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]hexanamide Traditional Name: N-butyl-N-[(1R)-1-[4-keto-3-(m-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(=C3)C

Isomeric SMILES

CCCCCC(=O)N(CCCC)[C@H](C)C1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C

InChI

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