N-[3-[(3-bromanyl-4-methoxy-phenyl)carbonyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(3-bromanyl-4-methoxy-phenyl)carbonyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3-bromo-4-methoxy-benzoyl)-cyclohexyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3-bromo-4-methoxybenzoyl)-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(3-bromo-4-methoxy-benzoyl)-cyclohexyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C26H29BrN4O4 MolecularWeight: 541.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4)Br

InChI

InChI=1S/C26H29BrN4O4/c1-35-22-13-12-17(16-20(22)27)26(34)31(18-8-3-2-4-9-18)15-7-14-28-25(33)23-29-21-11-6-5-10-19(21)24(32)30-23/h5-6,10-13,16,18H,2-4,7-9,14-15H2,1H3,(H,28,33)(H,29,30,32)