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

Systemtic Name: 2-azanyl-4-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-bromanyl-indol-3-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: 2-amino-4-[1-[2-(azepan-1-yl)-2-oxo-ethyl]-5-bromo-indol-3-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: 2-amino-4-[1-[2-(1-azepanyl)-2-oxoethyl]-5-bromo-3-indolyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: 2-amino-4-[1-[2-(azepan-1-yl)-2-oxoethyl]-5-bromoindol-3-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: 2-amino-4-[1-[2-(azepan-1-yl)-2-keto-ethyl]-5-bromo-indol-3-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C28H31BrN4O3 MolecularWeight: 551.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=C3C=C(C=C4)Br)CC(=O)N5CCCCCC5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=C3C=C(C=C4)Br)CC(=O)N5CCCCCC5)C(=O)C1)C

InChI

InChI=1S/C28H31BrN4O3/c1-28(2)12-22(34)26-23(13-28)36-27(31)19(14-30)25(26)20-15-33(21-8-7-17(29)11-18(20)21)16-24(35)32-9-5-3-4-6-10-32/h7-8,11,15,25H,3-6,9-10,12-13,16,31H2,1-2H3