(3S)-1-[[4-(quinolin-8-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[[4-(quinolin-8-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[[4-(8-quinolylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide CAS Name: (3S)-1-[[4-(8-quinolinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[[4-(quinolin-8-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[[4-(8-quinolylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]nipecotamide Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CC5=C4N=CC=C5)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=CC5=C4N=CC=C5)C(=O)N

InChI

InChI=1S/C26H30N4O2/c27-26(31)22-7-3-11-29(17-22)15-19-8-9-24-23(14-19)18-30(12-13-32-24)16-21-5-1-4-20-6-2-10-28-25(20)21/h1-2,4-6,8-10,14,22H,3,7,11-13,15-18H2,(H2,27,31)/t22-/m0/s1