2-[[4-[N-(2-dimethylaminoethyl)-N-methyl-carbamimidoyl]phenyl]carbonylamino]-N-(4-ethynylphenyl)-5-methoxy-benzamide

Systemtic Name: 2-[[4-[N-(2-dimethylaminoethyl)-N-methyl-carbamimidoyl]phenyl]carbonylamino]-N-(4-ethynylphenyl)-5-methoxy-benzamide Openeye Name: 2-[[4-[N-(2-dimethylaminoethyl)-N-methyl-carbamimidoyl]benzoyl]amino]-N-(4-ethynylphenyl)-5-methoxy-benzamide CAS Name: 2-[[[4-[[2-dimethylaminoethyl(methyl)amino]-iminomethyl]phenyl]-oxomethyl]amino]-N-(4-ethynylphenyl)-5-methoxybenzamide IUPAC Name: 2-[[4-[N-(2-dimethylaminoethyl)-N-methylcarbamimidoyl]benzoyl]amino]-N-(4-ethynylphenyl)-5-methoxybenzamide Traditional Name: 2-[[4-[N-(2-dimethylaminoethyl)-N-methyl-amidino]benzoyl]amino]-N-(4-ethynylphenyl)-5-methoxy-benzamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C#C

Isomeric SMILES

CN(C)CCN(C)C(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)C#C

InChI

InChI=1S/C29H31N5O3/c1-6-20-7-13-23(14-8-20)31-29(36)25-19-24(37-5)15-16-26(25)32-28(35)22-11-9-21(10-12-22)27(30)34(4)18-17-33(2)3/h1,7-16,19,30H,17-18H2,2-5H3,(H,31,36)(H,32,35)