2-chloranyl-1-(4-pyrimidin-4-yl-2,6-dipyrrolidin-1-yl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-chloranyl-1-(4-pyrimidin-4-yl-2,6-dipyrrolidin-1-yl-1,4-diazepan-1-yl)ethanone Openeye Name: 2-chloro-1-(4-pyrimidin-4-yl-2,6-dipyrrolidin-1-yl-1,4-diazepan-1-yl)ethanone CAS Name: 2-chloro-1-[4-(4-pyrimidinyl)-2,6-bis(1-pyrrolidinyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-chloro-1-(4-pyrimidin-4-yl-2,6-dipyrrolidin-1-yl-1,4-diazepan-1-yl)ethanone Traditional Name: 2-chloro-1-[4-(4-pyrimidyl)-2,6-dipyrrolidino-1,4-diazepan-1-yl]ethanone Formula: C19H29ClN6O MolecularWeight: 392.92616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CN(CC(N(C2)C(=O)CCl)N3CCCC3)C4=NC=NC=C4

Isomeric SMILES

C1CCN(C1)C2CN(CC(N(C2)C(=O)CCl)N3CCCC3)C4=NC=NC=C4

InChI

InChI=1S/C19H29ClN6O/c20-11-19(27)26-13-16(23-7-1-2-8-23)12-25(17-5-6-21-15-22-17)14-18(26)24-9-3-4-10-24/h5-6,15-16,18H,1-4,7-14H2