N-butyl-4-[1-(2-chlorophenyl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonyl-piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[1-(2-chlorophenyl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[1-(2-chlorophenyl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazine-1-carboxamide CAS Name: N-butyl-4-[[1-(2-chlorophenyl)-2-methyl-5-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[1-(2-chlorophenyl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazine-1-carboxamide Formula: C27H31ClN4O2 MolecularWeight: 479.01364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4Cl)C

InChI

InChI=1S/C27H31ClN4O2/c1-3-4-14-29-27(34)31-17-15-30(16-18-31)26(33)22-19-25(21-10-6-5-7-11-21)32(20(22)2)24-13-9-8-12-23(24)28/h5-13,19H,3-4,14-18H2,1-2H3,(H,29,34)