5-bromanyl-2-[[1-(phenylmethyl)azepan-2-ylidene]amino]benzenecarbonitrile

Systemtic Name: 5-bromanyl-2-[[1-(phenylmethyl)azepan-2-ylidene]amino]benzenecarbonitrile Openeye Name: 2-[(1-benzylazepan-2-ylidene)amino]-5-bromo-benzonitrile CAS Name: 5-bromo-2-[[1-(phenylmethyl)-2-azepanylidene]amino]benzonitrile IUPAC Name: 2-[(1-benzylazepan-2-ylidene)amino]-5-bromobenzonitrile Traditional Name: 2-[(1-benzylazepan-2-ylidene)amino]-5-bromo-benzonitrile Formula: C20H20BrN3 MolecularWeight: 382.2969

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC2=C(C=C(C=C2)Br)C#N)N(CC1)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(=NC2=C(C=C(C=C2)Br)C#N)N(CC1)CC3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3/c21-18-10-11-19(17(13-18)14-22)23-20-9-5-2-6-12-24(20)15-16-7-3-1-4-8-16/h1,3-4,7-8,10-11,13H,2,5-6,9,12,15H2