N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-carbamimidoyl-benzamide

Systemtic Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-carbamimidoyl-benzamide Openeye Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-oxo-ethyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-carbamimidoyl-benzamide CAS Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methylamino]-2-oxoethyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-carbamimidoylbenzamide IUPAC Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methylamino]-2-oxoethyl]-N-(1,3-benzodioxol-5-ylmethyl)-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-keto-ethyl]-N-piperonyl-benzamide Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)CN)C(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)CN)C(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C26H33N5O4/c1-30(21-8-5-17(13-27)6-9-21)24(32)15-31(14-18-7-10-22-23(11-18)35-16-34-22)26(33)20-4-2-3-19(12-20)25(28)29/h2-4,7,10-12,17,21H,5-6,8-9,13-16,27H2,1H3,(H3,28,29)