N-[1-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[1-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-carbamimidoyl-benzamide Openeye Name: N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-1-benzyl-2-oxo-ethyl]-3-carbamimidoyl-benzamide CAS Name: N-[1-[[4-(aminomethyl)cyclohexyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-3-carbamimidoylbenzamide IUPAC Name: N-[1-[[4-(aminomethyl)cyclohexyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[2-[[4-(aminomethyl)cyclohexyl]-methyl-amino]-1-benzyl-2-keto-ethyl]benzamide Formula: C25H33N5O2 MolecularWeight: 435.56182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)CN)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)CN)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H33N5O2/c1-30(21-12-10-18(16-26)11-13-21)25(32)22(14-17-6-3-2-4-7-17)29-24(31)20-9-5-8-19(15-20)23(27)28/h2-9,15,18,21-22H,10-14,16,26H2,1H3,(H3,27,28)(H,29,31)