4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylideneamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylideneamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyleneamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylideneamino)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyleneamino)-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C4C(=CC=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C4C(=CC=C3)OCCCO4

InChI

InChI=1S/C21H21N3O3/c1-15-19(21(25)24(23(15)2)17-9-4-3-5-10-17)22-14-16-8-6-11-18-20(16)27-13-7-12-26-18/h3-6,8-11,14H,7,12-13H2,1-2H3