5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-3-one Openeye Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-3-one CAS Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-3-one IUPAC Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-3-one Traditional Name: 5-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazolin-3-one Formula: C16H19N3O MolecularWeight: 269.34156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=NCCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=NCCCCC3

InChI

InChI=1S/C16H19N3O/c1-12-15(14-10-6-3-7-11-17-14)16(20)19(18-12)13-8-4-2-5-9-13/h2,4-5,8-9,18H,3,6-7,10-11H2,1H3