2-azanyl-1-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-4-(4-prop-2-enoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-bromanyl-2-methyl-phenyl)-5-oxidanylidene-4-(4-prop-2-enoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-allyloxyphenyl)-2-amino-1-(4-bromo-2-methyl-phenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-bromo-2-methylphenyl)-5-oxo-4-(4-prop-2-enoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-bromo-2-methylphenyl)-5-oxo-4-(4-prop-2-enoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-allyloxyphenyl)-2-amino-1-(4-bromo-2-methyl-phenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H24BrN3O2 MolecularWeight: 490.39166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OCC=C)C(=O)CCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OCC=C)C(=O)CCC3

InChI

InChI=1S/C26H24BrN3O2/c1-3-13-32-19-10-7-17(8-11-19)24-20(15-28)26(29)30(21-12-9-18(27)14-16(21)2)22-5-4-6-23(31)25(22)24/h3,7-12,14,24H,1,4-6,13,29H2,2H3