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

Systemtic Name: 2-azanyl-4-[3-[(2-bromanylphenoxy)methyl]-2,5-dimethyl-phenyl]-1-naphthalen-1-yl-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-1-(1-naphthyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-(1-naphthalenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(2-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-5-keto-1-(1-naphthyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C35H30BrN3O2 MolecularWeight: 604.5356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC5=CC=CC=C54)N)C#N)C)COC6=CC=CC=C6Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC5=CC=CC=C54)N)C#N)C)COC6=CC=CC=C6Br

InChI

InChI=1S/C35H30BrN3O2/c1-21-17-24(20-41-32-16-6-5-12-28(32)36)22(2)26(18-21)33-27(19-37)35(38)39(30-14-8-15-31(40)34(30)33)29-13-7-10-23-9-3-4-11-25(23)29/h3-7,9-13,16-18,33H,8,14-15,20,38H2,1-2H3