N-butyl-1-(cyclohexylmethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide

Systemtic Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide Openeye Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide CAS Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-(4-nitrophenyl)-3-pyrrolecarboxamide IUPAC Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide Traditional Name: N-butyl-1-(cyclohexylmethyl)-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])CC3CCCCC3)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])CC3CCCCC3)C

InChI

InChI=1S/C23H31N3O3/c1-3-4-14-24-23(27)21-15-22(19-10-12-20(13-11-19)26(28)29)25(17(21)2)16-18-8-6-5-7-9-18/h10-13,15,18H,3-9,14,16H2,1-2H3,(H,24,27)