N-[3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[2-(4-chloranyl-3-methyl-phenoxy)ethanoyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]-cyclohexyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[[2-(4-chloro-3-methyl-phenoxy)acetyl]-cyclohexyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C27H31ClN4O4 MolecularWeight: 511.01244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4)Cl

InChI

InChI=1S/C27H31ClN4O4/c1-18-16-20(12-13-22(18)28)36-17-24(33)32(19-8-3-2-4-9-19)15-7-14-29-27(35)25-30-23-11-6-5-10-21(23)26(34)31-25/h5-6,10-13,16,19H,2-4,7-9,14-15,17H2,1H3,(H,29,35)(H,30,31,34)