methyl 1-[[4-(5-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[4-(5-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[4-(1-allyl-5-oxo-pyrrolidine-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-[oxo-(5-oxo-1-prop-2-enyl-3-pyrrolidinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-(1-allyl-5-keto-pyrrolidine-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]isonipecotic acid methyl ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CC(=O)N(C4)CC=C

Isomeric SMILES

COC(=O)C1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CC(=O)N(C4)CC=C

InChI

InChI=1S/C25H33N3O5/c1-3-8-27-17-21(14-23(27)29)24(30)28-11-12-33-22-5-4-18(13-20(22)16-28)15-26-9-6-19(7-10-26)25(31)32-2/h3-5,13,19,21H,1,6-12,14-17H2,2H3