5,6-dihydrobenzo[b][1]benzazepin-11-yl-[1-(phenylmethyl)piperidin-3-yl]methanone; ethanedioic acid

Systemtic Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[1-(phenylmethyl)piperidin-3-yl]methanone; ethanedioic acid Openeye Name: (1-benzyl-3-piperidyl)-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone; oxalic acid CAS Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[1-(phenylmethyl)-3-piperidinyl]methanone; oxalic acid IUPAC Name: (1-benzylpiperidin-3-yl)-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone; oxalic acid Traditional Name: (1-benzyl-3-piperidyl)-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)methanone; oxalic acid Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)C(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H28N2O.C2H2O4/c30-27(24-13-8-18-28(20-24)19-21-9-2-1-3-10-21)29-25-14-6-4-11-22(25)16-17-23-12-5-7-15-26(23)29;3-1(4)2(5)6/h1-7,9-12,14-15,24H,8,13,16-20H2;(H,3,4)(H,5,6)