1-[2-azanylidene-8-chloranyl-6-(4-chlorophenyl)-3-methyl-3,4-dihydro-1,5-benzodiazocin-1-yl]butane-1,3-dione

Systemtic Name: 1-[2-azanylidene-8-chloranyl-6-(4-chlorophenyl)-3-methyl-3,4-dihydro-1,5-benzodiazocin-1-yl]butane-1,3-dione Openeye Name: 1-[8-chloro-6-(4-chlorophenyl)-2-imino-3-methyl-3,4-dihydro-1,5-benzodiazocin-1-yl]butane-1,3-dione CAS Name: 1-[8-chloro-6-(4-chlorophenyl)-2-imino-3-methyl-3,4-dihydro-1,5-benzodiazocin-1-yl]butane-1,3-dione IUPAC Name: 1-[8-chloro-6-(4-chlorophenyl)-2-imino-3-methyl-3,4-dihydro-1,5-benzodiazocin-1-yl]butane-1,3-dione Traditional Name: 1-[8-chloro-6-(4-chlorophenyl)-2-imino-3-methyl-3,4-dihydro-1,5-benzodiazocin-1-yl]butane-1,3-dione Formula: C21H19Cl2N3O2 MolecularWeight: 416.30046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN=C(C2=C(C=CC(=C2)Cl)N(C1=N)C(=O)CC(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CN=C(C2=C(C=CC(=C2)Cl)N(C1=N)C(=O)CC(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19Cl2N3O2/c1-12-11-25-20(14-3-5-15(22)6-4-14)17-10-16(23)7-8-18(17)26(21(12)24)19(28)9-13(2)27/h3-8,10,12,24H,9,11H2,1-2H3