N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[4-(4-ethylpiperazino)-3-methyl-phenyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C25H31N5O2/c1-3-28-13-15-29(16-14-28)23-11-10-20(17-19(23)2)27-24(31)9-6-12-30-18-26-22-8-5-4-7-21(22)25(30)32/h4-5,7-8,10-11,17-18H,3,6,9,12-16H2,1-2H3,(H,27,31)