ethyl 4-[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate CAS Name: 4-[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[7-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidine-1-carboxylic acid ethyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCOC3=C(C2)C=C(C=C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H35N3O3/c1-2-32-27(31)29-13-10-25(11-14-29)30-15-16-33-26-8-7-21(17-24(26)20-30)18-28-12-9-22-5-3-4-6-23(22)19-28/h3-8,17,25H,2,9-16,18-20H2,1H3