N-[2-[[4-(aminomethyl)cyclohexyl]methylamino]-2-oxidanylidene-1-(4-phenylphenyl)ethyl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[2-[[4-(aminomethyl)cyclohexyl]methylamino]-2-oxidanylidene-1-(4-phenylphenyl)ethyl]-3-carbamimidoyl-benzamide Openeye Name: N-[2-[[4-(aminomethyl)cyclohexyl]methylamino]-2-oxo-1-(4-phenylphenyl)ethyl]-3-carbamimidoyl-benzamide CAS Name: N-[2-[[4-(aminomethyl)cyclohexyl]methylamino]-2-oxo-1-(4-phenylphenyl)ethyl]-3-carbamimidoylbenzamide IUPAC Name: N-[2-[[4-(aminomethyl)cyclohexyl]methylamino]-2-oxo-1-(4-phenylphenyl)ethyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[2-[[4-(aminomethyl)cyclohexyl]methylamino]-2-keto-1-(4-phenylphenyl)ethyl]benzamide Formula: C30H35N5O2 MolecularWeight: 497.6312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)CNC(=O)C(C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1CN)CNC(=O)C(C2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C30H35N5O2/c31-18-20-9-11-21(12-10-20)19-34-30(37)27(35-29(36)26-8-4-7-25(17-26)28(32)33)24-15-13-23(14-16-24)22-5-2-1-3-6-22/h1-8,13-17,20-21,27H,9-12,18-19,31H2,(H3,32,33)(H,34,37)(H,35,36)