2-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(4-chloranyl-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-7,7-dimethyl-5-oxo-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-(3-pyridinyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl]-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-chloro-2-methyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-5-keto-7,7-dimethyl-1-(3-pyridyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C33H33ClN4O2 MolecularWeight: 553.09372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H33ClN4O2/c1-19-11-22(18-40-29-9-8-23(34)13-20(29)2)21(3)25(12-19)30-26(16-35)32(36)38(24-7-6-10-37-17-24)27-14-33(4,5)15-28(39)31(27)30/h6-13,17,30H,14-15,18,36H2,1-5H3