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

Systemtic Name: N-[3-[(4-tert-butylphenyl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-(4-tert-butylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(4-tert-butylphenyl)-oxomethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-(4-tert-butylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-(4-tert-butylbenzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C30H32N4O3 MolecularWeight: 496.60008

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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)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C30H32N4O3/c1-30(2,3)23-16-14-22(15-17-23)29(37)34(20-21-10-5-4-6-11-21)19-9-18-31-28(36)26-32-25-13-8-7-12-24(25)27(35)33-26/h4-8,10-17H,9,18-20H2,1-3H3,(H,31,36)(H,32,33,35)