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

Systemtic Name: N-[2-[[4-(aminomethyl)-3-methyl-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl]-3-carbamimidoyl-N-phenyl-benzamide Openeye Name: N-[2-[[4-(aminomethyl)-3-methyl-cyclohexyl]-methyl-amino]-2-oxo-ethyl]-3-carbamimidoyl-N-phenyl-benzamide CAS Name: N-[2-[[4-(aminomethyl)-3-methylcyclohexyl]-methylamino]-2-oxoethyl]-3-carbamimidoyl-N-phenylbenzamide IUPAC Name: N-[2-[[4-(aminomethyl)-3-methylcyclohexyl]-methylamino]-2-oxoethyl]-3-carbamimidoyl-N-phenylbenzamide Traditional Name: 3-amidino-N-[2-[[4-(aminomethyl)-3-methyl-cyclohexyl]-methyl-amino]-2-keto-ethyl]-N-phenyl-benzamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1CN)N(C)C(=O)CN(C2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC1CC(CCC1CN)N(C)C(=O)CN(C2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H33N5O2/c1-17-13-22(12-11-20(17)15-26)29(2)23(31)16-30(21-9-4-3-5-10-21)25(32)19-8-6-7-18(14-19)24(27)28/h3-10,14,17,20,22H,11-13,15-16,26H2,1-2H3,(H3,27,28)