(1R,2S,5R)-N-[2-(2-azanylethylamino)-2-phenyl-ethyl]-5-methyl-2-propan-2-yl-cyclohexane-1-carboxamide

Systemtic Name: (1R,2S,5R)-N-[2-(2-azanylethylamino)-2-phenyl-ethyl]-5-methyl-2-propan-2-yl-cyclohexane-1-carboxamide Openeye Name: (1R,2S,5R)-N-[2-(2-aminoethylamino)-2-phenyl-ethyl]-2-isopropyl-5-methyl-cyclohexanecarboxamide CAS Name: (1R,2S,5R)-N-[2-(2-aminoethylamino)-2-phenylethyl]-5-methyl-2-propan-2-yl-1-cyclohexanecarboxamide IUPAC Name: (1R,2S,5R)-N-[2-(2-aminoethylamino)-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide Traditional Name: (1R,2S,5R)-N-[2-(2-aminoethylamino)-2-phenyl-ethyl]-2-isopropyl-5-methyl-cyclohexanecarboxamide Formula: C21H35N3O MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)NCC(C2=CC=CC=C2)NCCN)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NCC(C2=CC=CC=C2)NCCN)C(C)C

InChI

InChI=1S/C21H35N3O/c1-15(2)18-10-9-16(3)13-19(18)21(25)24-14-20(23-12-11-22)17-7-5-4-6-8-17/h4-8,15-16,18-20,23H,9-14,22H2,1-3H3,(H,24,25)/t16-,18+,19-,20?/m1/s1