N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridin-3-ylmethyl)piperazine-2-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-pyridylmethyl)piperazine-2-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(3-pyridinylmethyl)-2-piperazinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridin-3-ylmethyl)piperazine-2-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(3-pyridylmethyl)piperazine-2-carboxamide Formula: C27H28N8O3 MolecularWeight: 512.56302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCCO5)CC6=CN=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCCO5)CC6=CN=CC=C6

InChI

InChI=1S/C27H28N8O3/c36-26(31-16-20-3-4-23-24(14-20)38-13-12-37-23)22-18-34(11-10-33(22)17-21-2-1-6-28-15-21)25-5-7-30-27(32-25)35-9-8-29-19-35/h1-9,14-15,19,22H,10-13,16-18H2,(H,31,36)