N,N-diethyl-1-[[4-(phenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-[[4-(phenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide Openeye Name: 1-[(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-N,N-diethyl-piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[[4-(phenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-[(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-[(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-N,N-diethyl-nipecotamide Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-3-30(4-2)27(31)24-11-8-14-28(20-24)19-23-12-13-26-25(17-23)21-29(15-16-32-26)18-22-9-6-5-7-10-22/h5-7,9-10,12-13,17,24H,3-4,8,11,14-16,18-21H2,1-2H3