N-[[3-(aminomethyl)phenyl]methyl]-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-3-(3-methylphenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-3-(3-methylbenzoyl)imidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-3-m-toluoyl-imidazolidine-2-carboxamide Formula: C29H36N6O3 MolecularWeight: 516.63454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)C(=O)C4=CC(=NN4C)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)C(=O)C4=CC(=NN4C)C(C)(C)C

InChI

InChI=1S/C29H36N6O3/c1-19-8-6-11-22(14-19)27(37)34-12-13-35(28(38)23-16-24(29(2,3)4)32-33(23)5)26(34)25(36)31-18-21-10-7-9-20(15-21)17-30/h6-11,14-16,26H,12-13,17-18,30H2,1-5H3,(H,31,36)