N-[4-[[(4-azanylcyclohexyl)-[(3-bromanyl-4-methoxy-phenyl)methyl]amino]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(4-azanylcyclohexyl)-[(3-bromanyl-4-methoxy-phenyl)methyl]amino]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(4-aminocyclohexyl)-[(3-bromo-4-methoxy-phenyl)methyl]amino]methyl]phenyl]acetamide CAS Name: N-[4-[[(4-aminocyclohexyl)-[(3-bromo-4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(4-aminocyclohexyl)-[(3-bromo-4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide Traditional Name: N-[4-[[(4-aminocyclohexyl)-(3-bromo-4-methoxy-benzyl)amino]methyl]phenyl]acetamide Formula: C23H30BrN3O2 MolecularWeight: 460.4072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN(CC2=CC(=C(C=C2)OC)Br)C3CCC(CC3)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN(CC2=CC(=C(C=C2)OC)Br)C3CCC(CC3)N

InChI

InChI=1S/C23H30BrN3O2/c1-16(28)26-20-8-3-17(4-9-20)14-27(21-10-6-19(25)7-11-21)15-18-5-12-23(29-2)22(24)13-18/h3-5,8-9,12-13,19,21H,6-7,10-11,14-15,25H2,1-2H3,(H,26,28)