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

Systemtic Name: N-[3-[(2-chlorophenyl)carbonyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(2-chlorobenzoyl)-cyclohexyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(2-chlorophenyl)-oxomethyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(2-chlorobenzoyl)-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(2-chlorobenzoyl)-cyclohexyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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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=CC=C4Cl

Isomeric SMILES

C1CCC(CC1)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H27ClN4O3/c26-20-13-6-4-11-18(20)25(33)30(17-9-2-1-3-10-17)16-8-15-27-24(32)22-28-21-14-7-5-12-19(21)23(31)29-22/h4-7,11-14,17H,1-3,8-10,15-16H2,(H,27,32)(H,28,29,31)