1-ethyl-7-fluoranyl-5-oxidanylidene-8-(4-pentylpiperazin-1-yl)-4,1-benzoxazepine-3-carbaldehyde

Systemtic Name: 1-ethyl-7-fluoranyl-5-oxidanylidene-8-(4-pentylpiperazin-1-yl)-4,1-benzoxazepine-3-carbaldehyde Openeye Name: 1-ethyl-7-fluoro-5-oxo-8-(4-pentylpiperazin-1-yl)-4,1-benzoxazepine-3-carbaldehyde CAS Name: 1-ethyl-7-fluoro-5-oxo-8-(4-pentyl-1-piperazinyl)-4,1-benzoxazepine-3-carboxaldehyde IUPAC Name: 1-ethyl-7-fluoro-5-oxo-8-(4-pentylpiperazin-1-yl)-4,1-benzoxazepine-3-carbaldehyde Traditional Name: 8-(4-amylpiperazino)-1-ethyl-7-fluoro-5-keto-4,1-benzoxazepine-3-carbaldehyde Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(OC3=O)C=O)CC)F

Isomeric SMILES

CCCCCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(OC3=O)C=O)CC)F

InChI

InChI=1S/C21H28FN3O3/c1-3-5-6-7-23-8-10-25(11-9-23)20-13-19-17(12-18(20)22)21(27)28-16(15-26)14-24(19)4-2/h12-15H,3-11H2,1-2H3