4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-N,2-dimethyl-N-propan-2-yl-benzamide

Systemtic Name: 4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-N,2-dimethyl-N-propan-2-yl-benzamide Openeye Name: 4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N-isopropyl-N,2-dimethyl-benzamide CAS Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,2-dimethyl-N-propan-2-ylbenzamide IUPAC Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,2-dimethyl-N-propan-2-ylbenzamide Traditional Name: 4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-N-isopropyl-N,2-dimethyl-benzamide Formula: C23H28N4O MolecularWeight: 376.49462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C(=O)N(C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C(=O)N(C)C(C)C

InChI

InChI=1S/C23H28N4O/c1-16(2)27(5)23(28)21-12-11-18(14-17(21)3)8-7-13-26(4)20-10-6-9-19(15-20)22(24)25/h6,9-12,14-16H,13H2,1-5H3,(H3,24,25)