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

Systemtic Name: 5-azanyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-3-one Openeye Name: 5-amino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-3-one CAS Name: 5-amino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-3-one IUPAC Name: 5-amino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-3-one Traditional Name: 5-amino-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-pyrazolin-3-one Formula: C15H18N4O MolecularWeight: 270.32962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)C2=C(NN(C2=O)C3=CC=CC=C3)N

Isomeric SMILES

C1CCC(=NCC1)C2=C(NN(C2=O)C3=CC=CC=C3)N

InChI

InChI=1S/C15H18N4O/c16-14-13(12-9-5-2-6-10-17-12)15(20)19(18-14)11-7-3-1-4-8-11/h1,3-4,7-8,18H,2,5-6,9-10,16H2