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

Systemtic Name: N-[3-[(4-tert-butylphenyl)carbonyl-cyclohexyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(4-tert-butylbenzoyl)-cyclohexyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-tert-butylphenyl)-oxomethyl]-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(4-tert-butylbenzoyl)-cyclohexylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(4-tert-butylbenzoyl)-cyclohexyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O3/c1-29(2,3)21-16-14-20(15-17-21)28(36)33(22-10-5-4-6-11-22)19-9-18-30-27(35)25-31-24-13-8-7-12-23(24)26(34)32-25/h7-8,12-17,22H,4-6,9-11,18-19H2,1-3H3,(H,30,35)(H,31,32,34)