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

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O/c28-24(4-1-19-5-11-25-12-6-19)23-3-2-21-9-15-27(16-10-22(21)17-23)18-20-7-13-26-14-8-20/h2-3,7-8,13-14,17,19,25H,1,4-6,9-12,15-16,18H2