3-piperidin-4-yl-1-[3-(pyridin-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one

Systemtic Name: 3-piperidin-4-yl-1-[3-(pyridin-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one Openeye Name: 3-(4-piperidyl)-1-[3-(2-pyridylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one CAS Name: 3-(4-piperidinyl)-1-[3-(2-pyridinylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-propanone IUPAC Name: 3-piperidin-4-yl-1-[3-(pyridin-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one Traditional Name: 3-(4-piperidyl)-1-[3-(2-pyridylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one Formula: C24H31N3O MolecularWeight: 377.52244

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=N4)C=C2

Isomeric SMILES

C1CNCCC1CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=N4)C=C2

InChI

InChI=1S/C24H31N3O/c28-24(7-4-19-8-13-25-14-9-19)22-6-5-20-10-15-27(16-11-21(20)17-22)18-23-3-1-2-12-26-23/h1-3,5-6,12,17,19,25H,4,7-11,13-16,18H2