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

Systemtic Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-pyridin-3-ylcarbonyl-piperidin-4-yl]-N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(pyridine-3-carbonyl)-4-piperidyl]-N-cyclopropyl-5-methyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-[[[4-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-4-piperidinyl]-N-cyclopropyl-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-cyclopropyl-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-nicotinoyl-4-piperidyl]-N-cyclopropyl-5-methyl-isoxazole-3-carboxamide Formula: C28H38N6O4 MolecularWeight: 522.63912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N(C2CC2)C3CCN(C(C3)C(=O)NCC4CCC(CC4)CN)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC(=NO1)C(=O)N(C2CC2)C3CCN([C@H](C3)C(=O)NCC4CCC(CC4)CN)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C28H38N6O4/c1-18-13-24(32-38-18)28(37)34(22-8-9-22)23-10-12-33(27(36)21-3-2-11-30-17-21)25(14-23)26(35)31-16-20-6-4-19(15-29)5-7-20/h2-3,11,13,17,19-20,22-23,25H,4-10,12,14-16,29H2,1H3,(H,31,35)/t19?,20?,23?,25-/m1/s1