4-butyl-1,2-dimethyl-3-phenyl-pyrrole

Systemtic Name: 4-butyl-1,2-dimethyl-3-phenyl-pyrrole Openeye Name: 4-butyl-1,2-dimethyl-3-phenyl-pyrrole CAS Name: 4-butyl-1,2-dimethyl-3-phenylpyrrole IUPAC Name: 4-butyl-1,2-dimethyl-3-phenylpyrrole Traditional Name: 4-butyl-1,2-dimethyl-3-phenyl-pyrrole Formula: C16H21N MolecularWeight: 227.34464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=C1C2=CC=CC=C2)C)C

Isomeric SMILES

CCCCC1=CN(C(=C1C2=CC=CC=C2)C)C

InChI

InChI=1S/C16H21N/c1-4-5-9-15-12-17(3)13(2)16(15)14-10-7-6-8-11-14/h6-8,10-12H,4-5,9H2,1-3H3