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

Systemtic Name: 2-azanyl-4-[3-[(4-bromanylphenoxy)methyl]-2,5-dimethyl-phenyl]-5-oxidanylidene-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-5-oxo-1-(3-pyridyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethylphenyl]-5-oxo-1-(3-pyridinyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethylphenyl]-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-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(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)C)COC5=CC=C(C=C5)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CN=CC=C4)N)C#N)C)COC5=CC=C(C=C5)Br

InChI

InChI=1S/C30H27BrN4O2/c1-18-13-20(17-37-23-10-8-21(31)9-11-23)19(2)24(14-18)28-25(15-32)30(33)35(22-5-4-12-34-16-22)26-6-3-7-27(36)29(26)28/h4-5,8-14,16,28H,3,6-7,17,33H2,1-2H3