5-(2-chlorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-chlorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one Openeye Name: 5-(2-chlorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one CAS Name: 5-(2-chlorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-chlorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one Traditional Name: 5-(2-chlorophenyl)-7-isocyanato-1,3,3-trimethyl-1,4-benzodiazepin-2-one Formula: C19H16ClN3O2 MolecularWeight: 353.80224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(C=C(C=C2)N=C=O)C(=N1)C3=CC=CC=C3Cl)C)C

Isomeric SMILES

CC1(C(=O)N(C2=C(C=C(C=C2)N=C=O)C(=N1)C3=CC=CC=C3Cl)C)C

InChI

InChI=1S/C19H16ClN3O2/c1-19(2)18(25)23(3)16-9-8-12(21-11-24)10-14(16)17(22-19)13-6-4-5-7-15(13)20/h4-10H,1-3H3