4-methyl-N-[6-[4-(2-oxidanyl-3-propan-2-yloxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 4-methyl-N-[6-[4-(2-oxidanyl-3-propan-2-yloxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-(2-hydroxy-3-isopropoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-methyl-benzamide CAS Name: N-[6-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide IUPAC Name: N-[6-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]-4-methylbenzamide Traditional Name: N-[6-[4-(2-hydroxy-3-isopropoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-methyl-benzamide Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC(COC(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC(COC(C)C)O

InChI

InChI=1S/C24H34N4O3/c1-18(2)31-17-22(29)16-27-11-4-12-28(14-13-27)23-10-9-21(15-25-23)26-24(30)20-7-5-19(3)6-8-20/h5-10,15,18,22,29H,4,11-14,16-17H2,1-3H3,(H,26,30)