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

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide Openeye Name: 4-[3-(4-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide CAS Name: 4-[3-(4-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-phenylbenzamide IUPAC Name: 4-[3-(4-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-phenylbenzamide Traditional Name: 4-[3-(4-amidino-N-methyl-anilino)prop-1-ynyl]-N,2,5-trimethyl-N-phenyl-benzamide Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCN(C)C2=CC=C(C=C2)C(=N)N)C)C(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C#CCN(C)C2=CC=C(C=C2)C(=N)N)C)C(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C27H28N4O/c1-19-18-25(27(32)31(4)24-10-6-5-7-11-24)20(2)17-22(19)9-8-16-30(3)23-14-12-21(13-15-23)26(28)29/h5-7,10-15,17-18H,16H2,1-4H3,(H3,28,29)