4-(aminomethyl)-N-[1-[4-(3-azanyl-1,2-benzoxazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-[4-(3-azanyl-1,2-benzoxazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide Openeye Name: N-[1-[4-(3-amino-1,2-benzoxazol-5-yl)-2-pyridyl]-2-phenyl-ethyl]-4-(aminomethyl)cyclohexanecarboxamide CAS Name: N-[1-[4-(3-amino-1,2-benzoxazol-5-yl)-2-pyridinyl]-2-phenylethyl]-4-(aminomethyl)-1-cyclohexanecarboxamide IUPAC Name: N-[1-[4-(3-amino-1,2-benzoxazol-5-yl)pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide Traditional Name: N-[1-[4-(3-aminoindoxazen-5-yl)-2-pyridyl]-2-phenyl-ethyl]-4-(aminomethyl)cyclohexanecarboxamide Formula: C28H31N5O2 MolecularWeight: 469.57804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=NC=CC(=C3)C4=CC5=C(C=C4)ON=C5N

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=NC=CC(=C3)C4=CC5=C(C=C4)ON=C5N

InChI

InChI=1S/C28H31N5O2/c29-17-19-6-8-20(9-7-19)28(34)32-25(14-18-4-2-1-3-5-18)24-16-22(12-13-31-24)21-10-11-26-23(15-21)27(30)33-35-26/h1-5,10-13,15-16,19-20,25H,6-9,14,17,29H2,(H2,30,33)(H,32,34)