2-[4-(3-phenyl-7-propan-2-yl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol dichloride

Systemtic Name: 2-[4-(3-phenyl-7-propan-2-yl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol dichloride Openeye Name: 2-[4-(7-isopropyl-3-phenyl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol dichloride CAS Name: 2-[4-(3-phenyl-7-propan-2-yl-5H-1-benzazepin-2-yl)-1-piperazinyl]ethanol dichloride IUPAC Name: 2-[4-(3-phenyl-7-propan-2-yl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol dichloride Traditional Name: 2-[4-(7-isopropyl-3-phenyl-5H-1-benzazepin-2-yl)piperazino]ethanol dichloride Formula: C25H31Cl2N3O-2 MolecularWeight: 460.43914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(C(=CC2)C3=CC=CC=C3)N4CCN(CC4)CCO.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(C(=CC2)C3=CC=CC=C3)N4CCN(CC4)CCO.[Cl-].[Cl-]

InChI

InChI=1S/C25H31N3O.2ClH/c1-19(2)21-9-11-24-22(18-21)8-10-23(20-6-4-3-5-7-20)25(26-24)28-14-12-27(13-15-28)16-17-29;;/h3-7,9-11,18-19,29H,8,12-17H2,1-2H3;2*1H/p-2