2-azanyl-N-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-azanyl-N-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-N-propan-2-yl-ethanamide Openeye Name: 2-amino-N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-N-isopropyl-acetamide CAS Name: 2-amino-N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-N-propan-2-ylacetamide IUPAC Name: 2-amino-N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-N-propan-2-ylacetamide Traditional Name: N-[4-[3-(4-amidinoanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-2-amino-N-isopropyl-acetamide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)N(C(C)C)C(=O)CN

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)N(C(C)C)C(=O)CN

InChI

InChI=1S/C23H29N5O/c1-15(2)28(22(29)14-24)21-13-16(3)19(12-17(21)4)6-5-11-27-20-9-7-18(8-10-20)23(25)26/h7-10,12-13,15,27H,11,14,24H2,1-4H3,(H3,25,26)