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

Systemtic Name: 2-[4-(3-phenyl-7-propyl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol dihydrochloride Openeye Name: 2-[4-(3-phenyl-7-propyl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol dihydrochloride CAS Name: 2-[4-(3-phenyl-7-propyl-5H-1-benzazepin-2-yl)-1-piperazinyl]ethanol dihydrochloride IUPAC Name: 2-[4-(3-phenyl-7-propyl-5H-1-benzazepin-2-yl)piperazin-1-yl]ethanol dihydrochloride Traditional Name: 2-[4-(3-phenyl-7-propyl-5H-1-benzazepin-2-yl)piperazino]ethanol dihydrochloride Formula: C25H33Cl2N3O MolecularWeight: 462.45502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)N=C(C(=CC2)C3=CC=CC=C3)N4CCN(CC4)CCO.Cl.Cl

Isomeric SMILES

CCCC1=CC2=C(C=C1)N=C(C(=CC2)C3=CC=CC=C3)N4CCN(CC4)CCO.Cl.Cl

InChI

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