[(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-cyanobenzoate

Systemtic Name: [(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-cyanobenzoate Openeye Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C25H21ClN2O2 MolecularWeight: 416.89944

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C#N)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@@H](C1)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C#N)Cl

InChI

InChI=1S/C25H21ClN2O2/c1-28-12-11-20-13-23(26)24(30-25(29)19-9-7-17(15-27)8-10-19)14-21(20)22(16-28)18-5-3-2-4-6-18/h2-10,13-14,22H,11-12,16H2,1H3/t22-/m0/s1