(7S)-10-[(5-azanyl-4-methoxy-6-methyl-pyridin-3-yl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one

Systemtic Name: (7S)-10-[(5-azanyl-4-methoxy-6-methyl-pyridin-3-yl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one Openeye Name: (7S)-10-[(5-amino-4-methoxy-6-methyl-3-pyridyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one CAS Name: (7S)-10-[(5-amino-4-methoxy-6-methyl-3-pyridinyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one IUPAC Name: (7S)-10-[(5-amino-4-methoxy-6-methylpyridin-3-yl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one Traditional Name: (7S)-10-[(5-amino-4-methoxy-6-methyl-3-pyridyl)methylamino]-1,2,3-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one Formula: C28H34N4O5 MolecularWeight: 506.59336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1N)OC)CNC2=CC=C3C(=CC2=O)C(CCC4=CC(=C(C(=C43)OC)OC)OC)NC

Isomeric SMILES

CC1=NC=C(C(=C1N)OC)CNC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC

InChI

InChI=1S/C28H34N4O5/c1-15-25(29)26(35-4)17(13-31-15)14-32-21-10-8-18-19(12-22(21)33)20(30-2)9-7-16-11-23(34-3)27(36-5)28(37-6)24(16)18/h8,10-13,20,30H,7,9,14,29H2,1-6H3,(H,32,33)/t20-/m0/s1