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

Systemtic Name: 4-methyl-N-[6-[4-[3-(2-methylpropoxy)-2-oxidanyl-propyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: N-[6-[4-(2-hydroxy-3-isobutoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-methyl-benzamide CAS Name: N-[6-[4-[2-hydroxy-3-(2-methylpropoxy)propyl]-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide IUPAC Name: N-[6-[4-[2-hydroxy-3-(2-methylpropoxy)propyl]-1,4-diazepan-1-yl]pyridin-3-yl]-4-methylbenzamide Traditional Name: N-[6-[4-(2-hydroxy-3-isobutoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-4-methyl-benzamide Formula: C25H36N4O3 MolecularWeight: 440.57834

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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(COCC(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O3/c1-19(2)17-32-18-23(30)16-28-11-4-12-29(14-13-28)24-10-9-22(15-26-24)27-25(31)21-7-5-20(3)6-8-21/h5-10,15,19,23,30H,4,11-14,16-18H2,1-3H3,(H,27,31)