N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(3-azanylpropyl)-4-cyano-benzamide

Systemtic Name: N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(3-azanylpropyl)-4-cyano-benzamide Openeye Name: N-[(5-acetamido-2-chloro-phenyl)methyl]-N-(3-aminopropyl)-4-cyano-benzamide CAS Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(3-aminopropyl)-4-cyanobenzamide IUPAC Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(3-aminopropyl)-4-cyanobenzamide Traditional Name: N-(5-acetamido-2-chloro-benzyl)-N-(3-aminopropyl)-4-cyano-benzamide Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)Cl)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)Cl)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H21ClN4O2/c1-14(26)24-18-7-8-19(21)17(11-18)13-25(10-2-9-22)20(27)16-5-3-15(12-23)4-6-16/h3-8,11H,2,9-10,13,22H2,1H3,(H,24,26)