2-[(E)-3-[1-(3-tert-butylphenyl)-5-(2-methylpropanoyl)pyrrol-2-yl]propylideneamino]guanidine

Systemtic Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-(2-methylpropanoyl)pyrrol-2-yl]propylideneamino]guanidine Openeye Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-(2-methylpropanoyl)pyrrol-2-yl]propylideneamino]guanidine CAS Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-(2-methyl-1-oxopropyl)-2-pyrrolyl]propylideneamino]guanidine IUPAC Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-(2-methylpropanoyl)pyrrol-2-yl]propylideneamino]guanidine Traditional Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-isobutyryl-pyrrol-2-yl]propylideneamino]guanidine Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC=C(N1C2=CC=CC(=C2)C(C)(C)C)CCC=NN=C(N)N

Isomeric SMILES

CC(C)C(=O)C1=CC=C(N1C2=CC=CC(=C2)C(C)(C)C)CC/C=N/N=C(N)N

InChI

InChI=1S/C22H31N5O/c1-15(2)20(28)19-12-11-17(10-7-13-25-26-21(23)24)27(19)18-9-6-8-16(14-18)22(3,4)5/h6,8-9,11-15H,7,10H2,1-5H3,(H4,23,24,26)/b25-13+