7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbonyl-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one

Systemtic Name: 7-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]carbonyl-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Openeye Name: 7-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-5-isopropyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one CAS Name: 7-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one IUPAC Name: 7-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2-phenyl-5-propan-2-yl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Traditional Name: 7-[4-(3-chlorobenzyl)piperazine-1-carbonyl]-5-isopropyl-2-phenyl-1H-pyrazolo[4,3-c]pyridin-5-ium-3-one Formula: C27H29ClN5O2+ MolecularWeight: 491.00446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC(=CC=C5)Cl

Isomeric SMILES

CC(C)[N+]1=CC(=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3)C(=O)N4CCN(CC4)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H28ClN5O2/c1-19(2)32-17-23(25-24(18-32)27(35)33(29-25)22-9-4-3-5-10-22)26(34)31-13-11-30(12-14-31)16-20-7-6-8-21(28)15-20/h3-10,15,17-19H,11-14,16H2,1-2H3/p+1