1-(7-azanylidene-2-cyclopropyl-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-methoxy-3-(4-methoxypiperidin-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-methoxypiperidin-1-yl)phenyl]hexan-1-one Openeye Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-methoxy-3-(4-methoxy-1-piperidyl)phenyl]hexan-1-one CAS Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-methoxy-3-(4-methoxy-1-piperidinyl)phenyl]-1-hexanone IUPAC Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-methoxy-3-(4-methoxypiperidin-1-yl)phenyl]hexan-1-one Traditional Name: 1-(2-cyclopropyl-7-imino-5H-pyrrolo[3,4-b]pyridin-6-yl)-2-[4-methoxy-3-(4-methoxypiperidino)phenyl]hexan-1-one Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O3/c1-4-5-6-23(20-10-12-26(36-3)25(17-20)32-15-13-22(35-2)14-16-32)29(34)33-18-21-9-11-24(19-7-8-19)31-27(21)28(33)30/h9-12,17,19,22-23,30H,4-8,13-16,18H2,1-3H3