N-(3-azanylpropyl)-4-cyano-N-[[3-(cyclohexylcarbonylamino)phenyl]methyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-4-cyano-N-[[3-(cyclohexylcarbonylamino)phenyl]methyl]benzamide Openeye Name: N-(3-aminopropyl)-4-cyano-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]benzamide CAS Name: N-(3-aminopropyl)-4-cyano-N-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]methyl]benzamide IUPAC Name: N-(3-aminopropyl)-4-cyano-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]benzamide Traditional Name: N-(3-aminopropyl)-4-cyano-N-[3-(cyclohexanecarbonylamino)benzyl]benzamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H30N4O2/c26-14-5-15-29(25(31)22-12-10-19(17-27)11-13-22)18-20-6-4-9-23(16-20)28-24(30)21-7-2-1-3-8-21/h4,6,9-13,16,21H,1-3,5,7-8,14-15,18,26H2,(H,28,30)