1,5-dimethyl-2-phenyl-4-[(3-prop-2-ynoxyphenyl)methylideneamino]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(3-prop-2-ynoxyphenyl)methylideneamino]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(3-prop-2-ynoxyphenyl)methyleneamino]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(3-prop-2-ynoxyphenyl)methylideneamino]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(3-prop-2-ynoxyphenyl)methylideneamino]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(3-propargyloxybenzylidene)amino]-3-pyrazolin-3-one Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC=C3)OCC#C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC(=CC=C3)OCC#C

InChI

InChI=1S/C21H19N3O2/c1-4-13-26-19-12-8-9-17(14-19)15-22-20-16(2)23(3)24(21(20)25)18-10-6-5-7-11-18/h1,5-12,14-15H,13H2,2-3H3