2-azanyl-5-[2-(butan-2-ylamino)ethanoyl]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[2-(butan-2-ylamino)ethanoyl]-3-chloranyl-benzenecarbonitrile Openeye Name: 2-amino-3-chloro-5-[2-(sec-butylamino)acetyl]benzonitrile CAS Name: 2-amino-5-[2-(butan-2-ylamino)-1-oxoethyl]-3-chlorobenzonitrile IUPAC Name: 2-amino-5-[2-(butan-2-ylamino)acetyl]-3-chlorobenzonitrile Traditional Name: 2-amino-3-chloro-5-[2-(sec-butylamino)acetyl]benzonitrile Formula: C13H16ClN3O MolecularWeight: 265.73864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(=O)C1=CC(=C(C(=C1)C#N)N)Cl

Isomeric SMILES

CCC(C)NCC(=O)C1=CC(=C(C(=C1)C#N)N)Cl

InChI

InChI=1S/C13H16ClN3O/c1-3-8(2)17-7-12(18)9-4-10(6-15)13(16)11(14)5-9/h4-5,8,17H,3,7,16H2,1-2H3