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

Systemtic Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-(2-methylpropyl)pyrrol-2-yl]propylideneamino]guanidine Openeye Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-isobutyl-pyrrol-2-yl]propylideneamino]guanidine CAS Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-(2-methylpropyl)-2-pyrrolyl]propylideneamino]guanidine IUPAC Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-(2-methylpropyl)pyrrol-2-yl]propylideneamino]guanidine Traditional Name: 2-[(E)-3-[1-(3-tert-butylphenyl)-5-isobutyl-pyrrol-2-yl]propylideneamino]guanidine Formula: C22H33N5 MolecularWeight: 367.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(N1C2=CC=CC(=C2)C(C)(C)C)CCC=NN=C(N)N

Isomeric SMILES

CC(C)CC1=CC=C(N1C2=CC=CC(=C2)C(C)(C)C)CC/C=N/N=C(N)N

InChI

InChI=1S/C22H33N5/c1-16(2)14-20-12-11-18(10-7-13-25-26-21(23)24)27(20)19-9-6-8-17(15-19)22(3,4)5/h6,8-9,11-13,15-16H,7,10,14H2,1-5H3,(H4,23,24,26)/b25-13+