3-(aminomethyl)-N-[2-[[(1R,2S)-2-azanyl-4-phenyl-cyclohexyl]amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-(aminomethyl)-N-[2-[[(1R,2S)-2-azanyl-4-phenyl-cyclohexyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-(aminomethyl)-N-[2-[[(1R,2S)-2-amino-4-phenyl-cyclohexyl]amino]-2-oxo-ethyl]benzamide CAS Name: 3-(aminomethyl)-N-[2-[[(1R,2S)-2-amino-4-phenylcyclohexyl]amino]-2-oxoethyl]benzamide IUPAC Name: 3-(aminomethyl)-N-[2-[[(1R,2S)-2-amino-4-phenylcyclohexyl]amino]-2-oxoethyl]benzamide Traditional Name: 3-(aminomethyl)-N-[2-[[(1R,2S)-2-amino-4-phenyl-cyclohexyl]amino]-2-keto-ethyl]benzamide Formula: C22H28N4O2 MolecularWeight: 380.48332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C2=CC=CC=C2)N)NC(=O)CNC(=O)C3=CC(=CC=C3)CN

Isomeric SMILES

C1CC(C[C@@H]([C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)CN)N)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2/c23-13-15-5-4-8-18(11-15)22(28)25-14-21(27)26-20-10-9-17(12-19(20)24)16-6-2-1-3-7-16/h1-8,11,17,19-20H,9-10,12-14,23-24H2,(H,25,28)(H,26,27)/t17?,19-,20+/m0/s1