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

Systemtic Name: N-[3-[(3-butoxyphenyl)carbonyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3-butoxybenzoyl)-cyclohexyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3-butoxyphenyl)-oxomethyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3-butoxybenzoyl)-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(3-butoxybenzoyl)-cyclohexyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C4CCCCC4

InChI

InChI=1S/C29H36N4O4/c1-2-3-19-37-23-14-9-11-21(20-23)29(36)33(22-12-5-4-6-13-22)18-10-17-30-28(35)26-31-25-16-8-7-15-24(25)27(34)32-26/h7-9,11,14-16,20,22H,2-6,10,12-13,17-19H2,1H3,(H,30,35)(H,31,32,34)