N-but-3-enyl-4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-benzamide

Systemtic Name: N-but-3-enyl-4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-2-methyl-benzamide Openeye Name: N-but-3-enyl-4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-2-methyl-benzamide CAS Name: N-but-3-enyl-4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-2-methylbenzamide IUPAC Name: N-but-3-enyl-4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-2-methylbenzamide Traditional Name: 4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-N-but-3-enyl-2-methyl-benzamide Formula: C23H26N4O MolecularWeight: 374.47874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O/c1-4-5-13-26-23(28)21-12-11-18(15-17(21)2)8-7-14-27(3)20-10-6-9-19(16-20)22(24)25/h4,6,9-12,15-16H,1,5,13-14H2,2-3H3,(H3,24,25)(H,26,28)