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

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-N,2,5-trimethyl-N-pyridin-2-yl-benzamide Openeye Name: 4-[3-(4-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N,2,5-trimethyl-N-(2-pyridyl)benzamide CAS Name: 4-[3-(4-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-(2-pyridinyl)benzamide IUPAC Name: 4-[3-(4-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,2,5-trimethyl-N-pyridin-2-ylbenzamide Traditional Name: 4-[3-(4-amidino-N-methyl-anilino)prop-1-ynyl]-N,2,5-trimethyl-N-(2-pyridyl)benzamide Formula: C26H27N5O MolecularWeight: 425.52548

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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=N3

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=N3

InChI

InChI=1S/C26H27N5O/c1-18-17-23(26(32)31(4)24-9-5-6-14-29-24)19(2)16-21(18)8-7-15-30(3)22-12-10-20(11-13-22)25(27)28/h5-6,9-14,16-17H,15H2,1-4H3,(H3,27,28)