2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxidanylidene-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-5-oxo-1-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-5-keto-1-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C30H27BrN4O2 MolecularWeight: 555.46498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)COC5=CC=CC=C5Br)C

Isomeric SMILES

CC1=CC(=C(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)COC5=CC=CC=C5Br)C

InChI

InChI=1S/C30H27BrN4O2/c1-18-13-19(2)22(14-20(18)17-37-27-11-4-3-8-24(27)31)28-23(15-32)30(33)35(21-7-6-12-34-16-21)25-9-5-10-26(36)29(25)28/h3-4,6-8,11-14,16,28H,5,9-10,17,33H2,1-2H3