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

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-N-(2-dimethylaminoethyl)-N-methyl-benzamide Openeye Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-(2-dimethylaminoethyl)-N-methyl-benzamide CAS Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-(2-dimethylaminoethyl)-N-methylbenzamide IUPAC Name: 4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-(2-dimethylaminoethyl)-N-methylbenzamide Traditional Name: 4-[3-(4-amidinoanilino)prop-1-ynyl]-N-(2-dimethylaminoethyl)-N-methyl-benzamide Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O/c1-26(2)15-16-27(3)22(28)19-8-6-17(7-9-19)5-4-14-25-20-12-10-18(11-13-20)21(23)24/h6-13,25H,14-16H2,1-3H3,(H3,23,24)