ethyl 2-[4-(4-carbamimidoylphenyl)-2,3-bis(oxidanylidene)-4-piperazin-1-yl-piperidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-carbamimidoylphenyl)-2,3-bis(oxidanylidene)-4-piperazin-1-yl-piperidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-carbamimidoylphenyl)-2,3-dioxo-4-piperazin-1-yl-1-piperidyl]acetate CAS Name: 2-[4-(4-carbamimidoylphenyl)-2,3-dioxo-4-(1-piperazinyl)-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-carbamimidoylphenyl)-2,3-dioxo-4-piperazin-1-ylpiperidin-1-yl]acetate Traditional Name: 2-[4-(4-amidinophenyl)-2,3-diketo-4-piperazino-piperidino]acetic acid ethyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(C(=O)C1=O)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3

Isomeric SMILES

CCOC(=O)CN1CCC(C(=O)C1=O)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3

InChI

InChI=1S/C20H27N5O4/c1-2-29-16(26)13-24-10-7-20(17(27)19(24)28,25-11-8-23-9-12-25)15-5-3-14(4-6-15)18(21)22/h3-6,23H,2,7-13H2,1H3,(H3,21,22)