2-[4-[2-[8-fluoranyl-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]ethyl propanoate

Systemtic Name: 2-[4-[2-[8-fluoranyl-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]ethyl propanoate Openeye Name: 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxo-ethyl]piperazin-1-yl]ethyl propanoate CAS Name: propanoic acid 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]piperazin-1-yl]ethyl propanoate Traditional Name: propionic acid 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-keto-ethyl]piperazino]ethyl ester Formula: C27H33F2N3O3 MolecularWeight: 485.566026

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCN1CCN(CC1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(=O)OCCN1CCN(CC1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H33F2N3O3/c1-2-27(34)35-17-16-30-12-14-31(15-13-30)19-26(33)32-11-3-4-23(20-5-7-21(28)8-6-20)24-10-9-22(29)18-25(24)32/h5-10,18,23H,2-4,11-17,19H2,1H3