ethyl 2-[4-(3-cyanophenyl)carbonyl-3-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(3-cyanophenyl)carbonyl-3-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-(3-cyanobenzoyl)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate CAS Name: 2-[4-[(3-cyanophenyl)-oxomethyl]-3-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-cyanobenzoyl)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-[4-(3-cyanobenzoyl)-3-(pyrrolidine-1-carbonyl)piperazino]acetic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)C(=O)N2CCCC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)CN1CCN(C(C1)C(=O)N2CCCC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H26N4O4/c1-2-29-19(26)15-23-10-11-25(18(14-23)21(28)24-8-3-4-9-24)20(27)17-7-5-6-16(12-17)13-22/h5-7,12,18H,2-4,8-11,14-15H2,1H3