N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-cyclohexylcarbonyl-amino]methyl]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-tert-butyl-benzamide CAS Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide Traditional Name: N-[2-[[[3-(aminomethyl)benzyl]-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-tert-butyl-benzamide Formula: C33H41N3O2 MolecularWeight: 511.69754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CN(CC3=CC=CC(=C3)CN)C(=O)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CN(CC3=CC=CC(=C3)CN)C(=O)C4CCCCC4

InChI

InChI=1S/C33H41N3O2/c1-33(2,3)29-18-16-26(17-19-29)31(37)35-30-15-8-7-14-28(30)23-36(32(38)27-12-5-4-6-13-27)22-25-11-9-10-24(20-25)21-34/h7-11,14-20,27H,4-6,12-13,21-23,34H2,1-3H3,(H,35,37)