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

Systemtic Name: 4-chloranyl-N-[6-[4-(2-oxidanylpropyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-chloro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-chloro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-chloro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-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=C(C=C3)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2/c1-15(26)14-24-9-2-10-25(12-11-24)19-8-7-18(13-22-19)23-20(27)16-3-5-17(21)6-4-16/h3-8,13,15,26H,2,9-12,14H2,1H3,(H,23,27)