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

Systemtic Name: ethyl 2-[4-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-piperazin-1-yl]piperidin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[4-(4-carbamimidoylphenyl)-3-oxo-piperazin-1-yl]-1-piperidyl]acetate CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxo-1-piperazinyl]-1-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(4-carbamimidoylphenyl)-3-oxopiperazin-1-yl]piperidin-1-yl]acetate Traditional Name: 2-[4-[4-(4-amidinophenyl)-3-keto-piperazino]piperidino]acetic acid ethyl ester Formula: C20H29N5O3 MolecularWeight: 387.47596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC(CC1)N2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CN1CCC(CC1)N2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H29N5O3/c1-2-28-19(27)14-23-9-7-16(8-10-23)24-11-12-25(18(26)13-24)17-5-3-15(4-6-17)20(21)22/h3-6,16H,2,7-14H2,1H3,(H3,21,22)