9-chloranyl-3-(cyclopropylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 9-chloranyl-3-(cyclopropylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 9-chloro-3-(cyclopropylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 9-chloro-3-(cyclopropylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 9-chloro-3-(cyclopropylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 9-chloro-3-(cyclopropylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CCC3=C(C(=C(C=C3C(C2)C4=CC=C(C=C4)O)O)O)Cl

Isomeric SMILES

C1CC1CN2CCC3=C(C(=C(C=C3C(C2)C4=CC=C(C=C4)O)O)O)Cl

InChI

InChI=1S/C20H22ClNO3/c21-19-15-7-8-22(10-12-1-2-12)11-17(13-3-5-14(23)6-4-13)16(15)9-18(24)20(19)25/h3-6,9,12,17,23-25H,1-2,7-8,10-11H2