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

Systemtic Name: N-[(2R)-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-1-ethanoyl-piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-1-acetyl-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-4-piperidyl]-5-methyl-N-phenethyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-1-acetyl-2-[[[4-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-4-piperidinyl]-5-methyl-N-phenethyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-1-acetyl-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]piperidin-4-yl]-5-methyl-N-phenethyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-1-acetyl-2-[[4-(aminomethyl)cyclohexyl]methylcarbamoyl]-4-piperidyl]-5-methyl-N-phenethyl-isoxazole-3-carboxamide Formula: C29H41N5O4 MolecularWeight: 523.66694

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C29H41N5O4/c1-20-16-26(32-38-20)29(37)34(14-12-22-6-4-3-5-7-22)25-13-15-33(21(2)35)27(17-25)28(36)31-19-24-10-8-23(18-30)9-11-24/h3-7,16,23-25,27H,8-15,17-19,30H2,1-2H3,(H,31,36)/t23?,24?,25?,27-/m1/s1