2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-bromanyl-4-methoxy-phenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromo-4-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(3-bromo-4-methoxy-phenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H22BrN3O MolecularWeight: 400.31218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCC1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H22BrN3O/c1-3-4-12-5-7-17-14(9-12)19(15(11-22)20(23)24-17)13-6-8-18(25-2)16(21)10-13/h6,8,10,12H,3-5,7,9H2,1-2H3,(H2,23,24)