N-bis(butan-2-ylamino)phosphoryl-1-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxamide

Systemtic Name: N-bis(butan-2-ylamino)phosphoryl-1-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Openeye Name: N-bis(sec-butylamino)phosphoryl-1-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: N-bis(butan-2-ylamino)phosphoryl-1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolecarboxamide IUPAC Name: N-bis(butan-2-ylamino)phosphoryl-1-(4-bromophenyl)-2,5-dimethylpyrrole-3-carboxamide Traditional Name: N-bis(sec-butylamino)phosphoryl-1-(4-bromophenyl)-2,5-dimethyl-pyrrole-3-carboxamide Formula: C21H32BrN4O2P MolecularWeight: 483.382141

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NP(=O)(NC(C)CC)NC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCC(C)NP(=O)(NC(C)CC)NC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C21H32BrN4O2P/c1-7-14(3)23-29(28,24-15(4)8-2)25-21(27)20-13-16(5)26(17(20)6)19-11-9-18(22)10-12-19/h9-15H,7-8H2,1-6H3,(H3,23,24,25,27,28)