5-azanyl-2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-amino-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]benzonitrile CAS Name: 5-amino-2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-amino-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]benzonitrile Traditional Name: 5-amino-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]benzonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)N)C#N)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)N)C#N)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N4O3/c21-12-14-11-15(22)5-6-16(14)23-7-9-24(10-8-23)20(25)19-13-26-17-3-1-2-4-18(17)27-19/h1-6,11,19H,7-10,13,22H2/t19-/m1/s1