ethyl 2-[3-[(phenylmethyl)carbamoyl]-4-pyridin-3-ylcarbonyl-piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(phenylmethyl)carbamoyl]-4-pyridin-3-ylcarbonyl-piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzylcarbamoyl)-4-(pyridine-3-carbonyl)piperazin-1-yl]acetate CAS Name: 2-[3-[oxo-[(phenylmethyl)amino]methyl]-4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzylcarbamoyl)-4-(pyridine-3-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-[3-(benzylcarbamoyl)-4-nicotinoyl-piperazino]acetic acid ethyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H26N4O4/c1-2-30-20(27)16-25-11-12-26(22(29)18-9-6-10-23-14-18)19(15-25)21(28)24-13-17-7-4-3-5-8-17/h3-10,14,19H,2,11-13,15-16H2,1H3,(H,24,28)