7-chloranyl-5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one hydrate hydrobromide

Systemtic Name: 7-chloranyl-5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one hydrate hydrobromide Openeye Name: 7-chloro-5-phenyl-1-(4-piperidyl)-3H-1,4-benzodiazepin-2-one hydrate hydrobromide CAS Name: 7-chloro-5-phenyl-1-(4-piperidinyl)-3H-1,4-benzodiazepin-2-one hydrate hydrobromide IUPAC Name: 7-chloro-5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one hydrate hydrobromide Traditional Name: 7-chloro-5-phenyl-1-(4-piperidyl)-3H-1,4-benzodiazepin-2-one hydrate hydrobromide Formula: C20H23BrClN3O2 MolecularWeight: 452.77252

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.O.Br

Isomeric SMILES

C1CNCCC1N2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.O.Br

InChI

InChI=1S/C20H20ClN3O.BrH.H2O/c21-15-6-7-18-17(12-15)20(14-4-2-1-3-5-14)23-13-19(25)24(18)16-8-10-22-11-9-16;;/h1-7,12,16,22H,8-11,13H2;1H;1H2