methyl 4-[[7-[(2-ethyl-3-oxidanylidene-piperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[7-[(2-ethyl-3-oxidanylidene-piperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[7-[(2-ethyl-3-oxo-piperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate CAS Name: 4-[[7-[(2-ethyl-3-oxo-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Traditional Name: 4-[[7-[(2-ethyl-3-keto-piperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1C(=O)NCCN1CC2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H31N3O4/c1-3-22-24(29)26-10-11-28(22)16-19-6-9-23-21(14-19)17-27(12-13-32-23)15-18-4-7-20(8-5-18)25(30)31-2/h4-9,14,22H,3,10-13,15-17H2,1-2H3,(H,26,29)