N-[2-[(5-chloranylpyridin-2-yl)carbamoyl]-1-benzofuran-3-yl]-4-methyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[2-[(5-chloranylpyridin-2-yl)carbamoyl]-1-benzofuran-3-yl]-4-methyl-1,4-diazepane-1-carboxamide Openeye Name: N-[2-[(5-chloro-2-pyridyl)carbamoyl]benzofuran-3-yl]-4-methyl-1,4-diazepane-1-carboxamide CAS Name: N-[2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-3-benzofuranyl]-4-methyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[2-[(5-chloropyridin-2-yl)carbamoyl]-1-benzofuran-3-yl]-4-methyl-1,4-diazepane-1-carboxamide Traditional Name: N-[2-[(5-chloro-2-pyridyl)carbamoyl]benzofuran-3-yl]-4-methyl-1,4-diazepane-1-carboxamide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

CN1CCCN(CC1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O3/c1-26-9-4-10-27(12-11-26)21(29)25-18-15-5-2-3-6-16(15)30-19(18)20(28)24-17-8-7-14(22)13-23-17/h2-3,5-8,13H,4,9-12H2,1H3,(H,25,29)(H,23,24,28)