N2-[1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N3-propyl-aziridine-2,3-dicarboxamide

Systemtic Name: N2-[1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N3-propyl-aziridine-2,3-dicarboxamide Openeye Name: N2-[1-benzyl-2-(isopentylamino)-2-oxo-ethyl]-N3-propyl-aziridine-2,3-dicarboxamide CAS Name: N2-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]-N3-propylaziridine-2,3-dicarboxamide IUPAC Name: 2-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]-3-N-propylaziridine-2,3-dicarboxamide Traditional Name: N-[1-benzyl-2-(isoamylamino)-2-keto-ethyl]-N'-propyl-ethylenimine-2,3-dicarboxamide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC(C)C

Isomeric SMILES

CCCNC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C21H32N4O3/c1-4-11-22-20(27)17-18(25-17)21(28)24-16(13-15-8-6-5-7-9-15)19(26)23-12-10-14(2)3/h5-9,14,16-18,25H,4,10-13H2,1-3H3,(H,22,27)(H,23,26)(H,24,28)