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

Systemtic Name: N-[4-[4-(aziridin-1-ylcarbonylamino)-3-methyl-phenyl]-2-methyl-phenyl]aziridine-1-carboxamide Openeye Name: N-[4-[4-(aziridine-1-carbonylamino)-3-methyl-phenyl]-2-methyl-phenyl]aziridine-1-carboxamide CAS Name: N-[4-[4-[[1-aziridinyl(oxo)methyl]amino]-3-methylphenyl]-2-methylphenyl]-1-aziridinecarboxamide IUPAC Name: N-[4-[4-(aziridine-1-carbonylamino)-3-methylphenyl]-2-methylphenyl]aziridine-1-carboxamide Traditional Name: N-[4-[4-(ethylenimine-1-carbonylamino)-3-methyl-phenyl]-2-methyl-phenyl]ethylenimine-1-carboxamide Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-13-11-15(3-5-17(13)21-19(25)23-7-8-23)16-4-6-18(14(2)12-16)22-20(26)24-9-10-24/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,26)