1-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-methoxy-3-(3-methoxy-4-oxidanyl-pyrrolidin-1-yl)phenyl]hexan-1-one

Systemtic Name: 1-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-methoxy-3-(3-methoxy-4-oxidanyl-pyrrolidin-1-yl)phenyl]hexan-1-one Openeye Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[3-(3-hydroxy-4-methoxy-pyrrolidin-1-yl)-4-methoxy-phenyl]hexan-1-one CAS Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[3-(3-hydroxy-4-methoxy-1-pyrrolidinyl)-4-methoxyphenyl]-1-hexanone IUPAC Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[3-(3-hydroxy-4-methoxypyrrolidin-1-yl)-4-methoxyphenyl]hexan-1-one Traditional Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[3-(3-hydroxy-4-methoxy-pyrrolidino)-4-methoxy-phenyl]hexan-1-one Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CC(C(C2)OC)O)C(=O)N3CC4=C(C3=N)N=C(C=C4)C5CC5

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CC(C(C2)OC)O)C(=O)N3CC4=C(C3=N)N=C(C=C4)C5CC5

InChI

InChI=1S/C28H36N4O4/c1-4-5-6-20(18-10-12-24(35-2)22(13-18)31-15-23(33)25(16-31)36-3)28(34)32-14-19-9-11-21(17-7-8-17)30-26(19)27(32)29/h9-13,17,20,23,25,29,33H,4-8,14-16H2,1-3H3