3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-yl-ethyl]propanamide

Systemtic Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-yl-ethyl]propanamide Openeye Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-(1-piperidyl)-2-(3-pyridyl)ethyl]propanamide CAS Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-(1-piperidinyl)-2-(3-pyridinyl)ethyl]propanamide IUPAC Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]propanamide Traditional Name: 3-[(2S)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-N-[(2S)-2-piperidino-2-(3-pyridyl)ethyl]propionamide Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=CC=CC=C2O1)CCC(=O)NCC(C3=CN=CC=C3)N4CCCCC4

Isomeric SMILES

C[C@H]1CN(CC2=CC=CC=C2O1)CCC(=O)NC[C@H](C3=CN=CC=C3)N4CCCCC4

InChI

InChI=1S/C25H34N4O2/c1-20-18-28(19-22-8-3-4-10-24(22)31-20)15-11-25(30)27-17-23(21-9-7-12-26-16-21)29-13-5-2-6-14-29/h3-4,7-10,12,16,20,23H,2,5-6,11,13-15,17-19H2,1H3,(H,27,30)/t20-,23+/m0/s1