N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[2-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]ethyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CCNC(=O)CCCN3C=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CCNC(=O)CCCN3C=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C25H27N5O2/c1-18-16-19(2)30(28-18)21-11-9-20(10-12-21)13-14-26-24(31)8-5-15-29-17-27-23-7-4-3-6-22(23)25(29)32/h3-4,6-7,9-12,16-17H,5,8,13-15H2,1-2H3,(H,26,31)