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

Systemtic Name: 2-chloranyl-N-[6-[4-(2-methyl-1-oxidanyl-propan-2-yl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-chloro-N-[6-[4-(2-hydroxy-1,1-dimethyl-ethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 2-chloro-N-[6-[4-(1-hydroxy-2-methylpropan-2-yl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 2-chloro-N-[6-[4-(1-hydroxy-2-methylpropan-2-yl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-chloro-N-[6-[4-(2-hydroxy-1,1-dimethyl-ethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(CO)N1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H27ClN4O2/c1-21(2,15-27)26-11-5-10-25(12-13-26)19-9-8-16(14-23-19)24-20(28)17-6-3-4-7-18(17)22/h3-4,6-9,14,27H,5,10-13,15H2,1-2H3,(H,24,28)