4-(aminomethyl)-N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[(1S)-1-benzyl-2-oxo-2-(4-pyridylamino)ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylamino)propan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[(1S)-1-benzyl-2-keto-2-(4-pyridylamino)ethyl]cyclohexanecarboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

C1CC(CCC1CN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C22H28N4O2/c23-15-17-6-8-18(9-7-17)21(27)26-20(14-16-4-2-1-3-5-16)22(28)25-19-10-12-24-13-11-19/h1-5,10-13,17-18,20H,6-9,14-15,23H2,(H,26,27)(H,24,25,28)/t17?,18?,20-/m0/s1