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

Systemtic Name: N-[4-[[4-(aziridin-1-ylcarbonylamino)-3-methoxy-phenyl]methyl]-2-methoxy-phenyl]aziridine-1-carboxamide Openeye Name: N-[4-[[4-(aziridine-1-carbonylamino)-3-methoxy-phenyl]methyl]-2-methoxy-phenyl]aziridine-1-carboxamide CAS Name: N-[4-[[4-[[1-aziridinyl(oxo)methyl]amino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]-1-aziridinecarboxamide IUPAC Name: N-[4-[[4-(aziridine-1-carbonylamino)-3-methoxyphenyl]methyl]-2-methoxyphenyl]aziridine-1-carboxamide Traditional Name: N-[4-[4-(ethylenimine-1-carbonylamino)-3-methoxy-benzyl]-2-methoxy-phenyl]ethylenimine-1-carboxamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=CC(=C(C=C2)NC(=O)N3CC3)OC)NC(=O)N4CC4

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=CC(=C(C=C2)NC(=O)N3CC3)OC)NC(=O)N4CC4

InChI

InChI=1S/C21H24N4O4/c1-28-18-12-14(3-5-16(18)22-20(26)24-7-8-24)11-15-4-6-17(19(13-15)29-2)23-21(27)25-9-10-25/h3-6,12-13H,7-11H2,1-2H3,(H,22,26)(H,23,27)