3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propionamide Formula: C18H22BrN3O2 MolecularWeight: 392.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C18H22BrN3O2/c1-12-4-2-3-5-15(12)21-17(23)8-9-22-11-20-16-7-6-13(19)10-14(16)18(22)24/h6-7,10-12,15H,2-5,8-9H2,1H3,(H,21,23)/t12-,15+/m0/s1