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

Systemtic Name: N-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-5-oxidanylidene-N-propan-2-yl-pyrrolidine-2-carboxamide Openeye Name: N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-N-isopropyl-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-5-oxo-N-propan-2-yl-2-pyrrolidinecarboxamide IUPAC Name: N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide Traditional Name: N-[4-[3-(4-amidinoanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-N-isopropyl-5-keto-pyrrolidine-2-carboxamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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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)C3CCC(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)N(C(C)C)C(=O)C3CCC(=O)N3

InChI

InChI=1S/C26H31N5O2/c1-16(2)31(26(33)22-11-12-24(32)30-22)23-15-17(3)20(14-18(23)4)6-5-13-29-21-9-7-19(8-10-21)25(27)28/h7-10,14-16,22,29H,11-13H2,1-4H3,(H3,27,28)(H,30,32)