methyl 1-[2-[[1-(4-azanyl-2-chloranyl-phenyl)carbonyl-7-fluoranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-[[1-(4-azanyl-2-chloranyl-phenyl)carbonyl-7-fluoranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-[[1-(4-amino-2-chloro-benzoyl)-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[1-[(4-amino-2-chlorophenyl)-oxomethyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]-1-oxoethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[1-(4-amino-2-chlorobenzoyl)-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]acetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[1-(4-amino-2-chloro-benzoyl)-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]oxy]acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C25H27ClFN3O5 MolecularWeight: 503.950383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)COC2CCCN(C3=C2C=C(C=C3)F)C(=O)C4=C(C=C(C=C4)N)Cl

Isomeric SMILES

COC(=O)C1CCCN1C(=O)COC2CCCN(C3=C2C=C(C=C3)F)C(=O)C4=C(C=C(C=C4)N)Cl

InChI

InChI=1S/C25H27ClFN3O5/c1-34-25(33)21-4-2-10-29(21)23(31)14-35-22-5-3-11-30(20-9-6-15(27)12-18(20)22)24(32)17-8-7-16(28)13-19(17)26/h6-9,12-13,21-22H,2-5,10-11,14,28H2,1H3