3-pyrazin-2-yl-1-[7-[[(3S)-3-pyridin-3-ylcarbonylpiperidin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one

Systemtic Name: 3-pyrazin-2-yl-1-[7-[[(3S)-3-pyridin-3-ylcarbonylpiperidin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Openeye Name: 3-pyrazin-2-yl-1-[7-[[(3S)-3-(pyridine-3-carbonyl)-1-piperidyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one CAS Name: 1-[7-[[(3S)-3-[oxo(3-pyridinyl)methyl]-1-piperidinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(2-pyrazinyl)-1-propanone IUPAC Name: 3-pyrazin-2-yl-1-[7-[[(3S)-3-(pyridine-3-carbonyl)piperidin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one Traditional Name: 1-[7-[[(3S)-3-nicotinoylpiperidino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazin-2-yl-propan-1-one Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=NC=CN=C4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC4=NC=CN=C4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H31N5O3/c34-27(8-6-25-17-30-10-11-31-25)33-13-14-36-26-7-5-21(15-24(26)20-33)18-32-12-2-4-23(19-32)28(35)22-3-1-9-29-16-22/h1,3,5,7,9-11,15-17,23H,2,4,6,8,12-14,18-20H2/t23-/m0/s1