3-[(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-propyl-quinazolin-4-one

Systemtic Name: 3-[(3-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-propyl-quinazolin-4-one Openeye Name: 3-[(3-tert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-propyl-quinazolin-4-one CAS Name: 3-[(3-tert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-2-propyl-4-quinazolinone IUPAC Name: 3-[(3-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-2-propylquinazolin-4-one Traditional Name: 3-[(3-tert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-propyl-quinazolin-4-one Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=O)N1NC=C3C=C(C=CC3=O)C(C)(C)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=O)N1NC=C3C=C(C=CC3=O)C(C)(C)C

InChI

InChI=1S/C22H25N3O2/c1-5-8-20-24-18-10-7-6-9-17(18)21(27)25(20)23-14-15-13-16(22(2,3)4)11-12-19(15)26/h6-7,9-14,23H,5,8H2,1-4H3