5-(4-bromophenyl)-4-(2-oxidanylideneazepan-1-yl)-N-phenethyl-3,4-dihydropyrazole-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-4-(2-oxidanylideneazepan-1-yl)-N-phenethyl-3,4-dihydropyrazole-2-carboxamide Openeye Name: 5-(4-bromophenyl)-4-(2-oxoazepan-1-yl)-N-phenethyl-3,4-dihydropyrazole-2-carboxamide CAS Name: 5-(4-bromophenyl)-4-(2-oxo-1-azepanyl)-N-phenethyl-3,4-dihydropyrazole-2-carboxamide IUPAC Name: 5-(4-bromophenyl)-4-(2-oxoazepan-1-yl)-N-phenethyl-3,4-dihydropyrazole-2-carboxamide Traditional Name: 3-(4-bromophenyl)-4-(2-ketoazepan-1-yl)-N-phenethyl-2-pyrazoline-1-carboxamide Formula: C24H27BrN4O2 MolecularWeight: 483.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)C2CN(N=C2C3=CC=C(C=C3)Br)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)C2CN(N=C2C3=CC=C(C=C3)Br)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H27BrN4O2/c25-20-12-10-19(11-13-20)23-21(28-16-6-2-5-9-22(28)30)17-29(27-23)24(31)26-15-14-18-7-3-1-4-8-18/h1,3-4,7-8,10-13,21H,2,5-6,9,14-17H2,(H,26,31)