N-[3-[4-chloranylbutanoyl(cyclohexyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[4-chloranylbutanoyl(cyclohexyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[4-chlorobutanoyl(cyclohexyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[(4-chloro-1-oxobutyl)-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[4-chlorobutanoyl(cyclohexyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[4-chlorobutanoyl(cyclohexyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4O3/c23-13-6-12-19(28)27(16-8-2-1-3-9-16)15-7-14-24-22(30)20-25-18-11-5-4-10-17(18)21(29)26-20/h4-5,10-11,16H,1-3,6-9,12-15H2,(H,24,30)(H,25,26,29)