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

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,2,5-trimethyl-N-propan-2-yl-benzamide Openeye Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-isopropyl-N,2,5-trimethyl-benzamide CAS Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-propan-2-ylbenzamide IUPAC Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-propan-2-ylbenzamide Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-N-isopropyl-N,2,5-trimethyl-benzamide Formula: C23H28N4O MolecularWeight: 376.49462

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O/c1-15(2)27(5)23(28)21-14-16(3)19(13-17(21)4)7-6-12-26-20-10-8-18(9-11-20)22(24)25/h8-11,13-15,26H,12H2,1-5H3,(H3,24,25)