(8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) butanoate

Systemtic Name: (8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) butanoate Openeye Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) butanoate CAS Name: butanoic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester IUPAC Name: (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) butanoate Traditional Name: butyric acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C21H24ClNO2 MolecularWeight: 357.87376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C2CCN(CC(C2=C1)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CCCC(=O)OC1=C(C=C2CCN(CC(C2=C1)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C21H24ClNO2/c1-3-7-21(24)25-20-13-17-16(12-19(20)22)10-11-23(2)14-18(17)15-8-5-4-6-9-15/h4-6,8-9,12-13,18H,3,7,10-11,14H2,1-2H3