4-[7-(azetidin-1-yl)-8-chloranyl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile

Systemtic Name: 4-[7-(azetidin-1-yl)-8-chloranyl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Openeye Name: 4-[7-(azetidin-1-yl)-8-chloro-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile CAS Name: 4-[7-(1-azetidinyl)-8-chloro-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]-2-pyridinecarbonitrile IUPAC Name: 4-[7-(azetidin-1-yl)-8-chloro-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridine-2-carbonitrile Traditional Name: 4-[7-(azetidin-1-yl)-8-chloro-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl]picolinonitrile Formula: C18H14ClN5O MolecularWeight: 351.78966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C2=C(C=C3C(=C2)N=C(CC(=O)N3)C4=CC(=NC=C4)C#N)Cl

Isomeric SMILES

C1CN(C1)C2=C(C=C3C(=C2)N=C(CC(=O)N3)C4=CC(=NC=C4)C#N)Cl

InChI

InChI=1S/C18H14ClN5O/c19-13-7-15-16(8-17(13)24-4-1-5-24)22-14(9-18(25)23-15)11-2-3-21-12(6-11)10-20/h2-3,6-8H,1,4-5,9H2,(H,23,25)