ethyl 3,5-dimethyl-4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]carbonyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[(3R)-3-(4-phenyl-1-piperazinyl)-1-piperidinyl]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(3R)-3-(4-phenylpiperazino)piperidine-1-carbonyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCC[C@H](C2)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H34N4O3/c1-4-32-25(31)23-18(2)22(19(3)26-23)24(30)29-12-8-11-21(17-29)28-15-13-27(14-16-28)20-9-6-5-7-10-20/h5-7,9-10,21,26H,4,8,11-17H2,1-3H3/t21-/m1/s1