3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide

Systemtic Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide Openeye Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(1-pyrimidin-2-yl-3-piperidyl)methyl]propanamide CAS Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]propanamide IUPAC Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]propanamide Traditional Name: 3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[[1-(2-pyrimidyl)-3-piperidyl]methyl]propionamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)CNC(=O)CCN3CC(OC4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC=N2)CNC(=O)CCN3CC(OC4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C28H33N5O2/c34-27(31-18-22-8-6-16-33(19-22)28-29-14-7-15-30-28)13-17-32-20-24-11-4-5-12-25(24)35-26(21-32)23-9-2-1-3-10-23/h1-5,7,9-12,14-15,22,26H,6,8,13,16-21H2,(H,31,34)