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

Systemtic Name: N-[3-[cyclohexyl-(4-fluorophenyl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[cyclohexyl-(4-fluorobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[cyclohexyl-[(4-fluorophenyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[cyclohexyl-(4-fluorobenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[cyclohexyl-(4-fluorobenzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H27FN4O3/c26-18-13-11-17(12-14-18)25(33)30(19-7-2-1-3-8-19)16-6-15-27-24(32)22-28-21-10-5-4-9-20(21)23(31)29-22/h4-5,9-14,19H,1-3,6-8,15-16H2,(H,27,32)(H,28,29,31)