2-azanyl-4-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]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]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]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]-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]indol-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]indol-3-yl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=CC=CC=C43)CC(=O)N5CCCCCC5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=CC=CC=C43)CC(=O)N5CCCCCC5)C(=O)C1)C

InChI

InChI=1S/C28H32N4O3/c1-28(2)13-22(33)26-23(14-28)35-27(30)19(15-29)25(26)20-16-32(21-10-6-5-9-18(20)21)17-24(34)31-11-7-3-4-8-12-31/h5-6,9-10,16,25H,3-4,7-8,11-14,17,30H2,1-2H3