ethyl 4-[2-[3-[(4-isocyanophenyl)methyl]indolizin-1-yl]-2-oxidanylidene-ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-[(4-isocyanophenyl)methyl]indolizin-1-yl]-2-oxidanylidene-ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-[(4-isocyanophenyl)methyl]indolizin-1-yl]-2-oxo-acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[3-[(4-isocyanophenyl)methyl]-1-indolizinyl]-1,2-dioxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(4-isocyanophenyl)methyl]indolizin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-(4-isocyanobenzyl)indolizin-1-yl]-2-keto-acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)[N+]#[C-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(=O)C2=C3C=CC=CN3C(=C2)CC4=CC=C(C=C4)[N+]#[C-]

InChI

InChI=1S/C25H24N4O4/c1-3-33-25(32)28-14-12-27(13-15-28)24(31)23(30)21-17-20(29-11-5-4-6-22(21)29)16-18-7-9-19(26-2)10-8-18/h4-11,17H,3,12-16H2,1H3