1-[3-[3,6-bis(bromanyl)carbazol-9-yl]-2-oxidanyl-propyl]-3-methyl-azepane-2,7-dione

Systemtic Name: 1-[3-[3,6-bis(bromanyl)carbazol-9-yl]-2-oxidanyl-propyl]-3-methyl-azepane-2,7-dione Openeye Name: 1-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxy-propyl]-3-methyl-azepane-2,7-dione CAS Name: 1-[3-(3,6-dibromo-9-carbazolyl)-2-hydroxypropyl]-3-methylazepane-2,7-dione IUPAC Name: 1-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-3-methylazepane-2,7-dione Traditional Name: 1-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxy-propyl]-3-methyl-azepane-2,7-quinone Formula: C22H22Br2N2O3 MolecularWeight: 522.22968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)N(C1=O)CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O

Isomeric SMILES

CC1CCCC(=O)N(C1=O)CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O

InChI

InChI=1S/C22H22Br2N2O3/c1-13-3-2-4-21(28)26(22(13)29)12-16(27)11-25-19-7-5-14(23)9-17(19)18-10-15(24)6-8-20(18)25/h5-10,13,16,27H,2-4,11-12H2,1H3