4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzenecarbonitrile

Systemtic Name: 4-azanyl-3-(azepan-1-ylmethyl)-5-bromanyl-benzenecarbonitrile Openeye Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzonitrile CAS Name: 4-amino-3-(1-azepanylmethyl)-5-bromobenzonitrile IUPAC Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromobenzonitrile Traditional Name: 4-amino-3-(azepan-1-ylmethyl)-5-bromo-benzonitrile Formula: C14H18BrN3 MolecularWeight: 308.21682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C(=CC(=C2)C#N)Br)N

Isomeric SMILES

C1CCCN(CC1)CC2=C(C(=CC(=C2)C#N)Br)N

InChI

InChI=1S/C14H18BrN3/c15-13-8-11(9-16)7-12(14(13)17)10-18-5-3-1-2-4-6-18/h7-8H,1-6,10,17H2