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

Systemtic Name: 2-chloranyl-N-[6-[4-(2-oxidanylpropyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-chloro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 2-chloro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 2-chloro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-chloro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)O

Isomeric SMILES

CC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)O

InChI

InChI=1S/C20H25ClN4O2/c1-15(26)14-24-9-4-10-25(12-11-24)19-8-7-16(13-22-19)23-20(27)17-5-2-3-6-18(17)21/h2-3,5-8,13,15,26H,4,9-12,14H2,1H3,(H,23,27)