4-(2-azanylpropan-2-yl)-N-(phenylmethyl)-N-[2-[(phenylmethyl)amino]pyridin-4-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-(2-azanylpropan-2-yl)-N-(phenylmethyl)-N-[2-[(phenylmethyl)amino]pyridin-4-yl]cyclohexane-1-carboxamide Openeye Name: 4-(1-amino-1-methyl-ethyl)-N-benzyl-N-[2-(benzylamino)-4-pyridyl]cyclohexanecarboxamide CAS Name: 4-(2-aminopropan-2-yl)-N-(phenylmethyl)-N-[2-[(phenylmethyl)amino]-4-pyridinyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(2-aminopropan-2-yl)-N-benzyl-N-[2-(benzylamino)pyridin-4-yl]cyclohexane-1-carboxamide Traditional Name: 4-(1-amino-1-methyl-ethyl)-N-benzyl-N-[2-(benzylamino)-4-pyridyl]cyclohexanecarboxamide Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCC(CC1)C(=O)N(CC2=CC=CC=C2)C3=CC(=NC=C3)NCC4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C1CCC(CC1)C(=O)N(CC2=CC=CC=C2)C3=CC(=NC=C3)NCC4=CC=CC=C4)N

InChI

InChI=1S/C29H36N4O/c1-29(2,30)25-15-13-24(14-16-25)28(34)33(21-23-11-7-4-8-12-23)26-17-18-31-27(19-26)32-20-22-9-5-3-6-10-22/h3-12,17-19,24-25H,13-16,20-21,30H2,1-2H3,(H,31,32)