2-azanyl-4-[3-[(4-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-[(4-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-[(4-bromophenoxy)methyl]-2,5-dimethyl-phenyl]-1-(1-naphthyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-(1-naphthalenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-bromophenoxy)methyl]-2,5-dimethylphenyl]-1-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-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=C(C=C6)Br

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=C(C=C6)Br

InChI

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