N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxidanylidene-propan-2-yl]phenyl]-3-cyano-benzamide

Systemtic Name: N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxidanylidene-propan-2-yl]phenyl]-3-cyano-benzamide Openeye Name: N-[4-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-1-methyl-2-oxo-ethyl]phenyl]-3-cyano-benzamide CAS Name: N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxopropan-2-yl]phenyl]-3-cyanobenzamide IUPAC Name: N-[4-[1-[[3-(aminomethyl)cyclohexyl]methylamino]-1-oxopropan-2-yl]phenyl]-3-cyanobenzamide Traditional Name: N-[4-[2-[[3-(aminomethyl)cyclohexyl]methylamino]-2-keto-1-methyl-ethyl]phenyl]-3-cyano-benzamide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C#N)C(=O)NCC3CCCC(C3)CN

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C#N)C(=O)NCC3CCCC(C3)CN

InChI

InChI=1S/C25H30N4O2/c1-17(24(30)28-16-20-6-2-4-18(12-20)14-26)21-8-10-23(11-9-21)29-25(31)22-7-3-5-19(13-22)15-27/h3,5,7-11,13,17-18,20H,2,4,6,12,14,16,26H2,1H3,(H,28,30)(H,29,31)