7-azanyl-10-(2-chloroethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: 7-azanyl-10-(2-chloroethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: 7-amino-10-(2-chloroethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: 7-amino-10-(2-chloroethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: 7-amino-10-(2-chloroethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: 7-amino-10-(2-chloroethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)NCCCl)N)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)NCCCl)N)OC)OC

InChI

InChI=1S/C21H25ClN2O4/c1-26-18-10-12-4-6-15(23)14-11-17(25)16(24-9-8-22)7-5-13(14)19(12)21(28-3)20(18)27-2/h5,7,10-11,15H,4,6,8-9,23H2,1-3H3,(H,24,25)