1-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-methoxy-3-(4-oxidanylpiperidin-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-(4-oxidanylpiperidin-1-yl)phenyl]hexan-1-one Openeye Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[3-(4-hydroxy-1-piperidyl)-4-methoxy-phenyl]hexan-1-one CAS Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[3-(4-hydroxy-1-piperidinyl)-4-methoxyphenyl]-1-hexanone IUPAC Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[3-(4-hydroxypiperidin-1-yl)-4-methoxyphenyl]hexan-1-one Traditional Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[3-(4-hydroxypiperidino)-4-methoxy-phenyl]hexan-1-one Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(CC2)O)C(=O)N3CC4=C(C3=N)N=C(C=C4)C5CC5

Isomeric SMILES

CCCCC(C1=CC(=C(C=C1)OC)N2CCC(CC2)O)C(=O)N3CC4=C(C3=N)N=C(C=C4)C5CC5

InChI

InChI=1S/C28H36N4O3/c1-3-4-5-22(19-9-11-25(35-2)24(16-19)31-14-12-21(33)13-15-31)28(34)32-17-20-8-10-23(18-6-7-18)30-26(20)27(32)29/h8-11,16,18,21-22,29,33H,3-7,12-15,17H2,1-2H3