4-[(1R)-1-azanylethyl]-N-pyridin-4-yl-cyclohexane-1-carboxamide; 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide

Systemtic Name: 4-[(1R)-1-azanylethyl]-N-pyridin-4-yl-cyclohexane-1-carboxamide; 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide Openeye Name: 4-[(1R)-1-aminoethyl]-N-(4-pyridyl)cyclohexanecarboxamide; 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzamide CAS Name: 4-[(1R)-1-aminoethyl]-N-pyridin-4-yl-1-cyclohexanecarboxamide; 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]benzamide IUPAC Name: 4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide; 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide Traditional Name: 4-[(1R)-1-aminoethyl]-N-(4-pyridyl)cyclohexanecarboxamide; 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridyl)-1H-imidazol-2-yl]benzamide Formula: C36H37N7O4 MolecularWeight: 631.72348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N.C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5

Isomeric SMILES

C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N.C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5

InChI

InChI=1S/C22H16N4O3.C14H21N3O/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17;1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h1-11H,12H2,(H2,23,27)(H,25,26);6-12H,2-5,15H2,1H3,(H,16,17,18)/t;10-,11?,12?/m.1/s1