ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethanoate; 3-heptyloxiran-2-one

Systemtic Name: ethyl 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethanoate; 3-heptyloxiran-2-one Openeye Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]piperazin-1-yl]acetate; 3-heptyloxiran-2-one CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperazinyl]acetic acid ethyl ester; 3-heptyl-2-oxiranone IUPAC Name: ethyl 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperazin-1-yl]acetate; 3-heptyloxiran-2-one Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperazino]acetic acid ethyl ester; 3-heptyloxiran-2-one Formula: C27H43N5O5 MolecularWeight: 517.66082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(=O)O1.CCOC(=O)CN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCCCCCCC1C(=O)O1.CCOC(=O)CN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H27N5O3.C9H16O2/c1-2-26-17(25)13-23-11-9-22(10-12-23)8-7-16(24)21-15-5-3-14(4-6-15)18(19)20;1-2-3-4-5-6-7-8-9(10)11-8/h3-6H,2,7-13H2,1H3,(H3,19,20)(H,21,24);8H,2-7H2,1H3