4-azanyl-3-bromanyl-5-[[(phenylmethyl)-propyl-amino]methyl]benzenecarbonitrile

Systemtic Name: 4-azanyl-3-bromanyl-5-[[(phenylmethyl)-propyl-amino]methyl]benzenecarbonitrile Openeye Name: 4-amino-3-[[benzyl(propyl)amino]methyl]-5-bromo-benzonitrile CAS Name: 4-amino-3-bromo-5-[[(phenylmethyl)-propylamino]methyl]benzonitrile IUPAC Name: 4-amino-3-[[benzyl(propyl)amino]methyl]-5-bromobenzonitrile Traditional Name: 4-amino-3-[[benzyl(propyl)amino]methyl]-5-bromo-benzonitrile Formula: C18H20BrN3 MolecularWeight: 358.2755

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)CC2=C(C(=CC(=C2)C#N)Br)N

Isomeric SMILES

CCCN(CC1=CC=CC=C1)CC2=C(C(=CC(=C2)C#N)Br)N

InChI

InChI=1S/C18H20BrN3/c1-2-8-22(12-14-6-4-3-5-7-14)13-16-9-15(11-20)10-17(19)18(16)21/h3-7,9-10H,2,8,12-13,21H2,1H3