7-[5-chloranyl-3-(1-oxidanidylpyridin-1-ium-4-yl)pyrazol-1-yl]-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one

Systemtic Name: 7-[5-chloranyl-3-(1-oxidanidylpyridin-1-ium-4-yl)pyrazol-1-yl]-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 7-[5-chloro-3-(1-oxidopyridin-1-ium-4-yl)pyrazol-1-yl]-1-isopropyl-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 7-[5-chloro-3-(1-oxido-4-pyridin-1-iumyl)-1-pyrazolyl]-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 7-[5-chloro-3-(1-oxidopyridin-1-ium-4-yl)pyrazol-1-yl]-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 7-[5-chloro-3-(1-oxidopyridin-1-ium-4-yl)pyrazol-1-yl]-1-isopropyl-4,5-dihydro-3H-1-benzazepin-2-one Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CCCC2=C1C=CC(=C2)N3C(=CC(=N3)C4=CC=[N+](C=C4)[O-])Cl

Isomeric SMILES

CC(C)N1C(=O)CCCC2=C1C=CC(=C2)N3C(=CC(=N3)C4=CC=[N+](C=C4)[O-])Cl

InChI

InChI=1S/C21H21ClN4O2/c1-14(2)25-19-7-6-17(12-16(19)4-3-5-21(25)27)26-20(22)13-18(23-26)15-8-10-24(28)11-9-15/h6-14H,3-5H2,1-2H3