1,5-dimethyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrazol-3-one bromide

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrazol-3-one bromide Openeye Name: 1,5-dimethyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrazol-3-one bromide CAS Name: 1,5-dimethyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-3-pyrazolone bromide IUPAC Name: 1,5-dimethyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)pyrazol-3-one bromide Traditional Name: 1,5-dimethyl-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-3-pyrazolin-3-one bromide Formula: C17H22BrN4O- MolecularWeight: 378.28678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NCCCCC3.[Br-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NCCCCC3.[Br-]

InChI

InChI=1S/C17H22N4O.BrH/c1-13-16(19-15-11-7-4-8-12-18-15)17(22)21(20(13)2)14-9-5-3-6-10-14;/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,18,19);1H/p-1