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

Systemtic Name: N-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-N-isopropyl-piperazine-1-carboxamide CAS Name: N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: N-[4-[3-(4-amidinoanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-N-isopropyl-piperazine-1-carboxamide Formula: C26H34N6O MolecularWeight: 446.58776

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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)N3CCNCC3

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)N(C(C)C)C(=O)N3CCNCC3

InChI

InChI=1S/C26H34N6O/c1-18(2)32(26(33)31-14-12-29-13-15-31)24-17-19(3)22(16-20(24)4)6-5-11-30-23-9-7-21(8-10-23)25(27)28/h7-10,16-18,29-30H,11-15H2,1-4H3,(H3,27,28)