4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-N,N-diethyl-2-methyl-benzamide hydrochloride

Systemtic Name: 4-[3-[(3-carbamimidoylphenyl)-methyl-amino]prop-1-ynyl]-N,N-diethyl-2-methyl-benzamide hydrochloride Openeye Name: 4-[3-(3-carbamimidoyl-N-methyl-anilino)prop-1-ynyl]-N,N-diethyl-2-methyl-benzamide hydrochloride CAS Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,N-diethyl-2-methylbenzamide hydrochloride IUPAC Name: 4-[3-(3-carbamimidoyl-N-methylanilino)prop-1-ynyl]-N,N-diethyl-2-methylbenzamide hydrochloride Traditional Name: 4-[3-(3-amidino-N-methyl-anilino)prop-1-ynyl]-N,N-diethyl-2-methyl-benzamide hydrochloride Formula: C23H29ClN4O MolecularWeight: 412.95556

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C.Cl

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)C#CCN(C)C2=CC=CC(=C2)C(=N)N)C.Cl

InChI

InChI=1S/C23H28N4O.ClH/c1-5-27(6-2)23(28)21-13-12-18(15-17(21)3)9-8-14-26(4)20-11-7-10-19(16-20)22(24)25;/h7,10-13,15-16H,5-6,14H2,1-4H3,(H3,24,25);1H