N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]-3-carbamimidoyl-N-(4-methoxyphenyl)benzamide

Systemtic Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]-3-carbamimidoyl-N-(4-methoxyphenyl)benzamide Openeye Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-oxo-ethyl]-3-carbamimidoyl-N-(4-methoxyphenyl)benzamide CAS Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methylamino]-2-oxoethyl]-3-carbamimidoyl-N-(4-methoxyphenyl)benzamide IUPAC Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methylamino]-2-oxoethyl]-3-carbamimidoyl-N-(4-methoxyphenyl)benzamide Traditional Name: 3-amidino-N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-2-keto-ethyl]-N-(4-methoxyphenyl)benzamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)CN)C(=O)CN(C2=CC=C(C=C2)OC)C(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)CN)C(=O)CN(C2=CC=C(C=C2)OC)C(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H33N5O3/c1-29(20-8-6-17(15-26)7-9-20)23(31)16-30(21-10-12-22(33-2)13-11-21)25(32)19-5-3-4-18(14-19)24(27)28/h3-5,10-14,17,20H,6-9,15-16,26H2,1-2H3,(H3,27,28)