1-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]-4-(2-piperidin-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]-4-(2-piperidin-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-4-[2-(1-piperidyl)ethyl]-1,4-diazepan-5-one CAS Name: 1-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-4-[2-(1-piperidinyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-[[1-(5-chloropyridin-2-yl)pyrrol-2-yl]methyl]-4-(2-piperidin-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-4-(2-piperidinoethyl)-1,4-diazepan-5-one Formula: C22H30ClN5O MolecularWeight: 415.9595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2CCN(CCC2=O)CC3=CC=CN3C4=NC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)CCN2CCN(CCC2=O)CC3=CC=CN3C4=NC=C(C=C4)Cl

InChI

InChI=1S/C22H30ClN5O/c23-19-6-7-21(24-17-19)28-11-4-5-20(28)18-26-12-8-22(29)27(16-14-26)15-13-25-9-2-1-3-10-25/h4-7,11,17H,1-3,8-10,12-16,18H2