9-chloranyl-3-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 9-chloranyl-3-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 9-chloro-3-(2-furylmethyl)-5-(m-tolyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 9-chloro-3-(2-furanylmethyl)-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 9-chloro-3-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 9-chloro-3-(2-furfuryl)-5-(m-tolyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC4=CC=CO4

Isomeric SMILES

CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC4=CC=CO4

InChI

InChI=1S/C22H22ClNO3/c1-14-4-2-5-15(10-14)19-13-24(12-16-6-3-9-27-16)8-7-17-18(19)11-20(25)22(26)21(17)23/h2-6,9-11,19,25-26H,7-8,12-13H2,1H3