N-[6-[4-(2-oxidanyl-3-prop-2-ynoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]furan-2-carboxamide

Systemtic Name: N-[6-[4-(2-oxidanyl-3-prop-2-ynoxy-propyl)-1,4-diazepan-1-yl]pyridin-3-yl]furan-2-carboxamide Openeye Name: N-[6-[4-(2-hydroxy-3-prop-2-ynoxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]furan-2-carboxamide CAS Name: N-[6-[4-(2-hydroxy-3-prop-2-ynoxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-furancarboxamide IUPAC Name: N-[6-[4-(2-hydroxy-3-prop-2-ynoxypropyl)-1,4-diazepan-1-yl]pyridin-3-yl]furan-2-carboxamide Traditional Name: N-[6-[4-(2-hydroxy-3-propargyloxy-propyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-furamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CO3)O

Isomeric SMILES

C#CCOCC(CN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC=CO3)O

InChI

InChI=1S/C21H26N4O4/c1-2-12-28-16-18(26)15-24-8-4-9-25(11-10-24)20-7-6-17(14-22-20)23-21(27)19-5-3-13-29-19/h1,3,5-7,13-14,18,26H,4,8-12,15-16H2,(H,23,27)