2-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]carbonyl-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carbonyl]-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[5-(4-chlorophenyl)-2-phenylpyrazole-3-carbonyl]-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carbonyl]-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C27H31ClN5O2+ MolecularWeight: 493.02034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H30ClN5O2/c28-22-11-9-21(10-12-22)24-19-25(33(29-24)23-7-2-1-3-8-23)27(35)32-16-6-13-30(17-18-32)20-26(34)31-14-4-5-15-31/h1-3,7-12,19H,4-6,13-18,20H2/p+1