(3R,4S)-7-chloranyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-3-oxidanyl-4,5-dihydro-3H-1-benzazepin-2-one

Systemtic Name: (3R,4S)-7-chloranyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-3-oxidanyl-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: (3R,4S)-7-chloro-1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: (3R,4S)-7-chloro-1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: (3R,4S)-7-chloro-1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: (3R,4S)-7-chloro-1-(2-dimethylaminoethyl)-3-hydroxy-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-2-one Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(CC(C(C1=O)O)C3=CC=C(C=C3)OC)C=C(C=C2)Cl

Isomeric SMILES

CN(C)CCN1C2=C(C[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC)C=C(C=C2)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-23(2)10-11-24-19-9-6-16(22)12-15(19)13-18(20(25)21(24)26)14-4-7-17(27-3)8-5-14/h4-9,12,18,20,25H,10-11,13H2,1-3H3/t18-,20+/m0/s1