methyl 2-ethyl-4-methyl-5-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-[2-(benzylamino)-2-oxo-ethyl]piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(benzylamino)-2-oxoethyl]piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-(benzylamino)-2-keto-ethyl]piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C23H30N4O4/c1-4-18-20(23(30)31-3)16(2)21(25-18)22(29)27-12-10-26(11-13-27)15-19(28)24-14-17-8-6-5-7-9-17/h5-9,25H,4,10-15H2,1-3H3,(H,24,28)