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

Systemtic Name: 3-azanyl-N-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-N-propan-2-yl-propanamide Openeye Name: 3-amino-N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-N-isopropyl-propanamide CAS Name: 3-amino-N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-N-propan-2-ylpropanamide IUPAC Name: 3-amino-N-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-N-propan-2-ylpropanamide Traditional Name: N-[4-[3-(4-amidinoanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-3-amino-N-isopropyl-propionamide Formula: C24H31N5O MolecularWeight: 405.53584

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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)CCN

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5O/c1-16(2)29(23(30)11-12-25)22-15-17(3)20(14-18(22)4)6-5-13-28-21-9-7-19(8-10-21)24(26)27/h7-10,14-16,28H,11-13,25H2,1-4H3,(H3,26,27)