N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-pyridin-3-ylcarbonyl-piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-pyridin-3-ylcarbonyl-piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(pyridine-3-carbonyl)-4-piperidyl]-5-methyl-N-phenethyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-[[[4-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]-5-methyl-N-phenethyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(pyridine-3-carbonyl)piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-nicotinoyl-4-piperidyl]-5-methyl-N-phenethyl-isoxazole-3-carboxamide Formula: C33H42N6O4 MolecularWeight: 586.72438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NCC4CCC(CC4)CN)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=NO1)C(=O)N(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCC4CCC(CC4)CN)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C33H42N6O4/c1-23-18-29(37-43-23)33(42)38(16-13-24-6-3-2-4-7-24)28-14-17-39(32(41)27-8-5-15-35-22-27)30(19-28)31(40)36-21-26-11-9-25(20-34)10-12-26/h2-8,15,18,22,25-26,28,30H,9-14,16-17,19-21,34H2,1H3,(H,36,40)/t25?,26?,28?,30-/m1/s1