2-[[9-(5-chloranyl-2-methoxy-phenyl)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 2-[[9-(5-chloranyl-2-methoxy-phenyl)-5,11-bis(oxidanylidene)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]sulfonyl]benzenecarbonitrile Openeye Name: 2-[[9-(5-chloro-2-methoxy-phenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]sulfonyl]benzonitrile CAS Name: 2-[[9-(5-chloro-2-methoxyphenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]sulfonyl]benzonitrile IUPAC Name: 2-[[9-(5-chloro-2-methoxyphenyl)-5,11-dioxo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]sulfonyl]benzonitrile Traditional Name: 2-[[9-(5-chloro-2-methoxy-phenyl)-5,11-diketo-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepin-3-yl]sulfonyl]benzonitrile Formula: C26H21ClN4O5S MolecularWeight: 536.98674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=CC3=C(C=C2)NC(=O)C4CN(CCN4C3=O)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=CC3=C(C=C2)NC(=O)C4CN(CCN4C3=O)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H21ClN4O5S/c1-36-23-9-7-18(27)13-19(23)16-6-8-21-20(12-16)26(33)31-11-10-30(15-22(31)25(32)29-21)37(34,35)24-5-3-2-4-17(24)14-28/h2-9,12-13,22H,10-11,15H2,1H3,(H,29,32)