4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,N-diethyl-2,5-dimethyl-benzamide

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,N-diethyl-2,5-dimethyl-benzamide Openeye Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,N-diethyl-2,5-dimethyl-benzamide CAS Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,N-diethyl-2,5-dimethylbenzamide IUPAC Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,N-diethyl-2,5-dimethylbenzamide Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-N,N-diethyl-2,5-dimethyl-benzamide Formula: C23H28N4O MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C(=C1)C)C#CCNC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C(=C1)C)C#CCNC2=CC=C(C=C2)C(=N)N)C

InChI

InChI=1S/C23H28N4O/c1-5-27(6-2)23(28)21-15-16(3)19(14-17(21)4)8-7-13-26-20-11-9-18(10-12-20)22(24)25/h9-12,14-15,26H,5-6,13H2,1-4H3,(H3,24,25)