(4-butyl-2,3-dipropyl-pyrrol-1-yl)-phenyl-methanone

Systemtic Name: (4-butyl-2,3-dipropyl-pyrrol-1-yl)-phenyl-methanone Openeye Name: (4-butyl-2,3-dipropyl-pyrrol-1-yl)-phenyl-methanone CAS Name: (4-butyl-2,3-dipropyl-1-pyrrolyl)-phenylmethanone IUPAC Name: (4-butyl-2,3-dipropylpyrrol-1-yl)-phenylmethanone Traditional Name: (4-butyl-2,3-dipropyl-pyrrol-1-yl)-phenyl-methanone Formula: C21H29NO MolecularWeight: 311.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=C1CCC)CCC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=CN(C(=C1CCC)CCC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H29NO/c1-4-7-13-18-16-22(20(12-6-3)19(18)11-5-2)21(23)17-14-9-8-10-15-17/h8-10,14-16H,4-7,11-13H2,1-3H3