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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O2/c1-10-2-4-14-12(6-10)17(13(8-19)18(20)21-14)11-3-5-15-16(7-11)23-9-22-15/h3,5,7,10H,2,4,6,9H2,1H3,(H2,20,21)