N-[4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-ethanamide

Systemtic Name: N-[4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-ethanamide Openeye Name: N-[4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-acetamide CAS Name: N-[4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-2-methylphenyl]-N-cyclopentylacetamide IUPAC Name: N-[4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-2-methylphenyl]-N-cyclopentylacetamide Traditional Name: N-[4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-2-methyl-phenyl]-N-cyclopentyl-acetamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)N(C3CCCC3)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)N(C3CCCC3)C(=O)C

InChI

InChI=1S/C25H30N4O/c1-18-16-20(13-14-24(18)29(19(2)30)22-10-4-5-11-22)8-7-15-28(3)23-12-6-9-21(17-23)25(26)27/h6,9,12-14,16-17,22H,4-5,10-11,15H2,1-3H3,(H3,26,27)