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

Systemtic Name: N-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-2-piperazin-1-yl-N-propan-2-yl-ethanamide Openeye Name: N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-N-isopropyl-2-piperazin-1-yl-acetamide CAS Name: N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-2-(1-piperazinyl)-N-propan-2-ylacetamide IUPAC Name: N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-2-piperazin-1-yl-N-propan-2-ylacetamide Traditional Name: N-[4-[3-(4-amidinoanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-N-isopropyl-2-piperazino-acetamide Formula: C27H36N6O MolecularWeight: 460.61434

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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)CN3CCNCC3

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)N(C(C)C)C(=O)CN3CCNCC3

InChI

InChI=1S/C27H36N6O/c1-19(2)33(26(34)18-32-14-12-30-13-15-32)25-17-20(3)23(16-21(25)4)6-5-11-31-24-9-7-22(8-10-24)27(28)29/h7-10,16-17,19,30-31H,11-15,18H2,1-4H3,(H3,28,29)