2-azanyl-4-(6-chloranyl-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(6-chloranyl-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C17H14ClN3O2 MolecularWeight: 327.76496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C17H14ClN3O2/c18-12-6-15-14(22-8-23-15)5-10(12)16-9-3-1-2-4-13(9)21-17(20)11(16)7-19/h5-6H,1-4,8H2,(H2,20,21)