N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[4-[[[3-(aminomethyl)cyclohexyl]methylamino]-oxomethyl]-2-methylphenyl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methyl-phenyl]-3,5-dimethyl-isoxazole-4-carboxamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=C(ON=C3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2CCCC(C2)CN)NC(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C22H30N4O3/c1-13-9-18(21(27)24-12-17-6-4-5-16(10-17)11-23)7-8-19(13)25-22(28)20-14(2)26-29-15(20)3/h7-9,16-17H,4-6,10-12,23H2,1-3H3,(H,24,27)(H,25,28)