4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl]butanamide

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[(4-oxidanylidene-3-phenyl-quinazolin-2-yl)methyl]butanamide Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[(4-oxo-3-phenyl-quinazolin-2-yl)methyl]butanamide CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-N-[(4-oxo-3-phenyl-2-quinazolinyl)methyl]butanamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-[(4-oxo-3-phenylquinazolin-2-yl)methyl]butanamide Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-N-[(4-keto-3-phenyl-quinazolin-2-yl)methyl]butyramide Formula: C31H35N5O2 MolecularWeight: 509.6419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCC(=O)NCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CCCC(=O)NCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C31H35N5O2/c1-23-14-15-24(2)28(21-23)35-19-17-34(18-20-35)16-8-13-30(37)32-22-29-33-27-12-7-6-11-26(27)31(38)36(29)25-9-4-3-5-10-25/h3-7,9-12,14-15,21H,8,13,16-20,22H2,1-2H3,(H,32,37)