(2E)-2-[7-bromanyl-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]ethanenitrile

Systemtic Name: (2E)-2-[7-bromanyl-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]ethanenitrile Openeye Name: (2E)-2-[7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetonitrile CAS Name: (2E)-2-[7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetonitrile IUPAC Name: (2E)-2-[7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetonitrile Traditional Name: (2E)-2-[7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-ylidene]acetonitrile Formula: C18H13BrClN3 MolecularWeight: 386.67292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC#N)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

Isomeric SMILES

CN1/C(=C/C#N)/CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H13BrClN3/c1-23-13(8-9-21)11-22-18(14-4-2-3-5-16(14)20)15-10-12(19)6-7-17(15)23/h2-8,10H,11H2,1H3/b13-8+