1-(2-azanylidene-8-chloranyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-1-yl)butane-1,3-dione

Systemtic Name: 1-(2-azanylidene-8-chloranyl-6-phenyl-3,4-dihydro-1,5-benzodiazocin-1-yl)butane-1,3-dione Openeye Name: 1-(8-chloro-2-imino-6-phenyl-3,4-dihydro-1,5-benzodiazocin-1-yl)butane-1,3-dione CAS Name: 1-(8-chloro-2-imino-6-phenyl-3,4-dihydro-1,5-benzodiazocin-1-yl)butane-1,3-dione IUPAC Name: 1-(8-chloro-2-imino-6-phenyl-3,4-dihydro-1,5-benzodiazocin-1-yl)butane-1,3-dione Traditional Name: 1-(8-chloro-2-imino-6-phenyl-3,4-dihydro-1,5-benzodiazocin-1-yl)butane-1,3-dione Formula: C20H18ClN3O2 MolecularWeight: 367.82882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1C(=N)CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CC(=O)N1C(=N)CCN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O2/c1-13(25)11-19(26)24-17-8-7-15(21)12-16(17)20(23-10-9-18(24)22)14-5-3-2-4-6-14/h2-8,12,22H,9-11H2,1H3