4-(aminomethyl)-N-[1-[4-(3-azanyl-1,2-benzoxazol-6-yl)-6-oxidanylidene-1H-pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-[4-(3-azanyl-1,2-benzoxazol-6-yl)-6-oxidanylidene-1H-pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide Openeye Name: N-[1-[4-(3-amino-1,2-benzoxazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenyl-ethyl]-4-(aminomethyl)cyclohexanecarboxamide CAS Name: N-[1-[4-(3-amino-1,2-benzoxazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[1-[4-(3-amino-1,2-benzoxazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide Traditional Name: N-[1-[4-(3-aminoindoxazen-6-yl)-6-keto-1H-pyridin-2-yl]-2-phenyl-ethyl]-4-(aminomethyl)cyclohexanecarboxamide Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=CC(=CC(=O)N3)C4=CC5=C(C=C4)C(=NO5)N

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=CC(=CC(=O)N3)C4=CC5=C(C=C4)C(=NO5)N

InChI

InChI=1S/C28H31N5O3/c29-16-18-6-8-19(9-7-18)28(35)32-23(12-17-4-2-1-3-5-17)24-13-21(15-26(34)31-24)20-10-11-22-25(14-20)36-33-27(22)30/h1-5,10-11,13-15,18-19,23H,6-9,12,16,29H2,(H2,30,33)(H,31,34)(H,32,35)