2-[(5R)-1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate

Systemtic Name: 2-[(5R)-1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: 2-[(5R)-1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[(5R)-1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate IUPAC Name: 2-[(5R)-1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[(5R)-1-(2-chloro-4-pyrrolidino-benzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Formula: C23H24ClN2O3- MolecularWeight: 411.90126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)CC(=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CCC[C@@H](C4=CC=CC=C43)CC(=O)[O-])Cl

InChI

InChI=1S/C23H25ClN2O3/c24-20-15-17(25-11-3-4-12-25)9-10-19(20)23(29)26-13-5-6-16(14-22(27)28)18-7-1-2-8-21(18)26/h1-2,7-10,15-16H,3-6,11-14H2,(H,27,28)/p-1/t16-/m1/s1