4-[4-(2-methoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-piperidin-2-yl]benzenecarbonitrile dihydrochloride

Systemtic Name: 4-[4-(2-methoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-piperidin-2-yl]benzenecarbonitrile dihydrochloride Openeye Name: 4-[4-(2-methoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-2-piperidyl]benzonitrile dihydrochloride CAS Name: 4-[4-(2-methoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-2-piperidinyl]benzonitrile dihydrochloride IUPAC Name: 4-[4-(2-methoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methylpiperidin-2-yl]benzonitrile dihydrochloride Traditional Name: 4-[4-(2-methoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-methyl-2-piperidyl]benzonitrile dihydrochloride Formula: C24H31Cl2N3O MolecularWeight: 448.42844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1C2=CC=C(C=C2)C#N)C3CCC4=CC=CC=C4CN3OC.Cl.Cl

Isomeric SMILES

CN1CCC(CC1C2=CC=C(C=C2)C#N)C3CCC4=CC=CC=C4CN3OC.Cl.Cl

InChI

InChI=1S/C24H29N3O.2ClH/c1-26-14-13-21(15-24(26)20-9-7-18(16-25)8-10-20)23-12-11-19-5-3-4-6-22(19)17-27(23)28-2;;/h3-10,21,23-24H,11-15,17H2,1-2H3;2*1H