N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylphenyl)carbonyl-3-(4-nitrophenyl)carbonyl-imidazolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylphenyl)carbonyl-3-(4-nitrophenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbenzoyl)-3-(4-nitrobenzoyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(3-methylphenyl)-oxomethyl]-3-[(4-nitrophenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbenzoyl)-3-(4-nitrobenzoyl)imidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-m-toluoyl-3-(4-nitrobenzoyl)imidazolidine-2-carboxamide Formula: C27H27N5O5 MolecularWeight: 501.53378

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O5/c1-18-4-2-7-22(14-18)27(35)31-13-12-30(26(34)21-8-10-23(11-9-21)32(36)37)25(31)24(33)29-17-20-6-3-5-19(15-20)16-28/h2-11,14-15,25H,12-13,16-17,28H2,1H3,(H,29,33)