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

Systemtic Name: 3-piperidin-4-yl-1-[3-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one Openeye Name: 3-(4-piperidyl)-1-[3-(3-pyridylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one CAS Name: 3-(4-piperidinyl)-1-[3-(3-pyridinylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-propanone IUPAC Name: 3-piperidin-4-yl-1-[3-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one Traditional Name: 3-(4-piperidyl)-1-[3-(3-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=CN=CC=C4)C=C2

Isomeric SMILES

C1CNCCC1CCC(=O)C2=CC3=C(CCN(CC3)CC4=CN=CC=C4)C=C2

InChI

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