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

Systemtic Name: N-[3-[2,2-bis(chloranyl)ethanoyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[cyclohexyl-(2,2-dichloroacetyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[cyclohexyl-(2,2-dichloro-1-oxoethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[cyclohexyl-(2,2-dichloroacetyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[cyclohexyl-(2,2-dichloroacetyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C20H24Cl2N4O3 MolecularWeight: 439.33556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C(Cl)Cl

Isomeric SMILES

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C(Cl)Cl

InChI

InChI=1S/C20H24Cl2N4O3/c21-16(22)20(29)26(13-7-2-1-3-8-13)12-6-11-23-19(28)17-24-15-10-5-4-9-14(15)18(27)25-17/h4-5,9-10,13,16H,1-3,6-8,11-12H2,(H,23,28)(H,24,25,27)