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

Systemtic Name: 2-azanyl-4-[1-[2-(4-chloranyl-3-methyl-phenoxy)ethyl]indol-3-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[1-[2-(4-chloro-3-methyl-phenoxy)ethyl]indol-3-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-indolyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[1-[2-(4-chloro-3-methylphenoxy)ethyl]indol-3-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[1-[2-(4-chloro-3-methyl-phenoxy)ethyl]indol-3-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C29H28ClN3O3 MolecularWeight: 502.00392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCN2C=C(C3=CC=CC=C32)C4C(=C(OC5=C4C(=O)CC(C5)(C)C)N)C#N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCN2C=C(C3=CC=CC=C32)C4C(=C(OC5=C4C(=O)CC(C5)(C)C)N)C#N)Cl

InChI

InChI=1S/C29H28ClN3O3/c1-17-12-18(8-9-22(17)30)35-11-10-33-16-21(19-6-4-5-7-23(19)33)26-20(15-31)28(32)36-25-14-29(2,3)13-24(34)27(25)26/h4-9,12,16,26H,10-11,13-14,32H2,1-3H3