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

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N,N-diethyl-2-methyl-benzamide Openeye Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,N-diethyl-2-methyl-benzamide CAS Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,N-diethyl-2-methylbenzamide IUPAC Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N,N-diethyl-2-methylbenzamide Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-N,N-diethyl-2-methyl-benzamide Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O/c1-4-26(5-2)22(27)20-13-8-17(15-16(20)3)7-6-14-25-19-11-9-18(10-12-19)21(23)24/h8-13,15,25H,4-5,14H2,1-3H3,(H3,23,24)