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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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