N-[4-[[4-(aziridin-1-ylcarbonylamino)-3-methyl-phenyl]methyl]-2-methyl-phenyl]aziridine-1-carboxamide

Systemtic Name: N-[4-[[4-(aziridin-1-ylcarbonylamino)-3-methyl-phenyl]methyl]-2-methyl-phenyl]aziridine-1-carboxamide Openeye Name: N-[4-[[4-(aziridine-1-carbonylamino)-3-methyl-phenyl]methyl]-2-methyl-phenyl]aziridine-1-carboxamide CAS Name: N-[4-[[4-[[1-aziridinyl(oxo)methyl]amino]-3-methylphenyl]methyl]-2-methylphenyl]-1-aziridinecarboxamide IUPAC Name: N-[4-[[4-(aziridine-1-carbonylamino)-3-methylphenyl]methyl]-2-methylphenyl]aziridine-1-carboxamide Traditional Name: N-[4-[4-(ethylenimine-1-carbonylamino)-3-methyl-benzyl]-2-methyl-phenyl]ethylenimine-1-carboxamide Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)NC(=O)N3CC3)C)NC(=O)N4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)NC(=O)N3CC3)C)NC(=O)N4CC4

InChI

InChI=1S/C21H24N4O2/c1-14-11-16(3-5-18(14)22-20(26)24-7-8-24)13-17-4-6-19(15(2)12-17)23-21(27)25-9-10-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,26)(H,23,27)