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

Systemtic Name: 1-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Openeye Name: 1-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one CAS Name: 1-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one IUPAC Name: 1-[[1-(5-chloropyridin-2-yl)pyrrol-2-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Traditional Name: 1-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Formula: C23H25ClN4O2 MolecularWeight: 424.9232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CCOC2=CC=CC=C2)CC3=CC=CN3C4=NC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1=O)CCOC2=CC=CC=C2)CC3=CC=CN3C4=NC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O2/c24-19-8-9-22(25-17-19)28-11-4-5-20(28)18-26-12-10-23(29)27(14-13-26)15-16-30-21-6-2-1-3-7-21/h1-9,11,17H,10,12-16,18H2