N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-[[3-azanylpropyl(cyclopropylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[3-[[3-aminopropyl-[cyclopropyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1CC1C(=O)N(CCCN)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C22H23ClN4O2/c23-20-9-8-19(26-21(28)16-4-2-15(13-25)3-5-16)12-18(20)14-27(11-1-10-24)22(29)17-6-7-17/h2-5,8-9,12,17H,1,6-7,10-11,14,24H2,(H,26,28)