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

Systemtic Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylphenyl)carbonyl-3-(3-nitrophenyl)carbonyl-imidazolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbenzoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)phenyl]methyl]-1-[(3-methylphenyl)-oxomethyl]-3-[(3-nitrophenyl)-oxomethyl]-2-imidazolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbenzoyl)-3-(3-nitrobenzoyl)imidazolidine-2-carboxamide Traditional Name: N-[3-(aminomethyl)benzyl]-1-m-toluoyl-3-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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