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

Systemtic Name: N-[3-[(3,4-dimethylphenyl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-(3,4-dimethylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3,4-dimethylphenyl)-oxomethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-(3,4-dimethylbenzoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-(3,4-dimethylbenzoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H28N4O3/c1-19-13-14-22(17-20(19)2)28(35)32(18-21-9-4-3-5-10-21)16-8-15-29-27(34)25-30-24-12-7-6-11-23(24)26(33)31-25/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,29,34)(H,30,31,33)