N-tert-butyl-4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,2,5-trimethyl-benzamide

Systemtic Name: N-tert-butyl-4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,2,5-trimethyl-benzamide Openeye Name: N-tert-butyl-4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,2,5-trimethyl-benzamide CAS Name: N-tert-butyl-4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,2,5-trimethylbenzamide IUPAC Name: N-tert-butyl-4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,2,5-trimethylbenzamide Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-N-tert-butyl-N,2,5-trimethyl-benzamide Formula: C24H30N4O MolecularWeight: 390.5212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)C(=O)N(C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)C(=O)N(C)C(C)(C)C

InChI

InChI=1S/C24H30N4O/c1-16-15-21(23(29)28(6)24(3,4)5)17(2)14-19(16)8-7-13-27-20-11-9-18(10-12-20)22(25)26/h9-12,14-15,27H,13H2,1-6H3,(H3,25,26)