N-[1-[(5-azanyl-1,3-dioxan-2-yl)methyl-methyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-butan-2-yl]-4-pyridin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[1-[(5-azanyl-1,3-dioxan-2-yl)methyl-methyl-amino]-3-(1H-indol-3-yl)-1-oxidanylidene-butan-2-yl]-4-pyridin-2-yl-piperazine-1-carboxamide Openeye Name: N-[1-[(5-amino-1,3-dioxan-2-yl)methyl-methyl-carbamoyl]-2-(1H-indol-3-yl)propyl]-4-(2-pyridyl)piperazine-1-carboxamide CAS Name: N-[1-[(5-amino-1,3-dioxan-2-yl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[1-[(5-amino-1,3-dioxan-2-yl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide Traditional Name: N-[1-[(5-amino-1,3-dioxan-2-yl)methyl-methyl-carbamoyl]-2-(1H-indol-3-yl)propyl]-4-(2-pyridyl)piperazine-1-carboxamide Formula: C28H37N7O4 MolecularWeight: 535.63788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=CC=CC=C21)C(C(=O)N(C)CC3OCC(CO3)N)NC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC(C1=CNC2=CC=CC=C21)C(C(=O)N(C)CC3OCC(CO3)N)NC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H37N7O4/c1-19(22-15-31-23-8-4-3-7-21(22)23)26(27(36)33(2)16-25-38-17-20(29)18-39-25)32-28(37)35-13-11-34(12-14-35)24-9-5-6-10-30-24/h3-10,15,19-20,25-26,31H,11-14,16-18,29H2,1-2H3,(H,32,37)