ethyl 2-[4-(4-carbamimidoylphenyl)-2,5-bis(oxidanylidene)-4-piperazin-1-yl-piperidin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-carbamimidoylphenyl)-2,5-bis(oxidanylidene)-4-piperazin-1-yl-piperidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-carbamimidoylphenyl)-2,5-dioxo-4-piperazin-1-yl-1-piperidyl]acetate CAS Name: 2-[4-(4-carbamimidoylphenyl)-2,5-dioxo-4-(1-piperazinyl)-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-carbamimidoylphenyl)-2,5-dioxo-4-piperazin-1-ylpiperidin-1-yl]acetate Traditional Name: 2-[4-(4-amidinophenyl)-2,5-diketo-4-piperazino-piperidino]acetic acid ethyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CC(=O)C(CC1=O)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3

Isomeric SMILES

CCOC(=O)CN1CC(=O)C(CC1=O)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3

InChI

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