3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-2-one

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-2-one Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-2-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-2-piperazinone IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-2-one Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[(2-keto-7-methyl-chromen-4-yl)methyl]piperazin-2-one Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCNC(=O)C3C4=C(N(N=C4C)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCNC(=O)C3C4=C(N(N=C4C)C5=CC=CC=C5)C

InChI

InChI=1S/C26H26N4O3/c1-16-9-10-21-19(14-23(31)33-22(21)13-16)15-29-12-11-27-26(32)25(29)24-17(2)28-30(18(24)3)20-7-5-4-6-8-20/h4-10,13-14,25H,11-12,15H2,1-3H3,(H,27,32)