4-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)piperidin-1-yl]carbonylbenzenecarbonitrile hydrochloride

Systemtic Name: 4-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)piperidin-1-yl]carbonylbenzenecarbonitrile hydrochloride Openeye Name: 4-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)piperidine-1-carbonyl]benzonitrile hydrochloride CAS Name: 4-[[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)-1-piperidinyl]-oxomethyl]benzonitrile hydrochloride IUPAC Name: 4-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)piperidine-1-carbonyl]benzonitrile hydrochloride Traditional Name: 4-[4-(2-ethoxy-1,3,4,5-tetrahydro-2-benzazepin-3-yl)piperidine-1-carbonyl]benzonitrile hydrochloride Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

CCON1CC2=CC=CC=C2CCC1C3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N.Cl

Isomeric SMILES

CCON1CC2=CC=CC=C2CCC1C3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N.Cl

InChI

InChI=1S/C25H29N3O2.ClH/c1-2-30-28-18-23-6-4-3-5-20(23)11-12-24(28)21-13-15-27(16-14-21)25(29)22-9-7-19(17-26)8-10-22;/h3-10,21,24H,2,11-16,18H2,1H3;1H