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

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-(3-cyclopentylpropanoylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-(3-cyclopentylpropanoylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(3-cyclopentyl-1-oxopropyl)amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-(3-cyclopentylpropanoylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-(3-cyclopentylpropanoylamino)benzyl]-4-cyano-benzamide Formula: C26H31ClN4O2 MolecularWeight: 467.00294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(C1)CCC(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H31ClN4O2/c27-24-12-11-23(30-25(32)13-8-19-4-1-2-5-19)16-22(24)18-31(15-3-14-28)26(33)21-9-6-20(17-29)7-10-21/h6-7,9-12,16,19H,1-5,8,13-15,18,28H2,(H,30,32)