3-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-yl]-7-(4-methylphenoxy)chromen-4-one

Systemtic Name: 3-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-yl]-7-(4-methylphenoxy)chromen-4-one Openeye Name: 3-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridyl]-7-(4-methylphenoxy)chromen-4-one CAS Name: 3-[6-[3-(dimethylamino)-1-pyrrolidinyl]-3-pyridinyl]-7-(4-methylphenoxy)-1-benzopyran-4-one IUPAC Name: 3-[6-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-yl]-7-(4-methylphenoxy)chromen-4-one Traditional Name: 3-[6-[3-(dimethylamino)pyrrolidino]-3-pyridyl]-7-(4-methylphenoxy)chromone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CN=C(C=C4)N5CCC(C5)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CN=C(C=C4)N5CCC(C5)N(C)C

InChI

InChI=1S/C27H27N3O3/c1-18-4-7-21(8-5-18)33-22-9-10-23-25(14-22)32-17-24(27(23)31)19-6-11-26(28-15-19)30-13-12-20(16-30)29(2)3/h4-11,14-15,17,20H,12-13,16H2,1-3H3