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

Systemtic Name: 5-azanyl-1-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-one Openeye Name: 5-amino-1-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-one CAS Name: 5-amino-1-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazolone IUPAC Name: 5-amino-1-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazol-3-one Traditional Name: 5-amino-1-methyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazolin-3-one Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)C3=NCCCCC3)N

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)C3=NCCCCC3)N

InChI

InChI=1S/C16H20N4O/c1-19-15(17)14(13-10-6-3-7-11-18-13)16(21)20(19)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11,17H2,1H3