2-methylpropyl N-[1-[(3Z)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2H-isoquinolin-1-yl]piperidin-4-yl]carbamate

Systemtic Name: 2-methylpropyl N-[1-[(3Z)-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2H-isoquinolin-1-yl]piperidin-4-yl]carbamate Openeye Name: isobutyl N-[1-[(3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-isoquinolin-1-yl]-4-piperidyl]carbamate CAS Name: N-[1-[(3Z)-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoquinolin-1-yl]-4-piperidinyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[1-[(3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-isoquinolin-1-yl]piperidin-4-yl]carbamate Traditional Name: N-[1-[(3Z)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-2H-isoquinolin-1-yl]-4-piperidyl]carbamic acid isobutyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1CCN(CC1)C2=C3C=CC=CC3=CC(=C4C=CC=CC4=O)N2

Isomeric SMILES

CC(C)COC(=O)NC1CCN(CC1)C2=C3C=CC=CC3=C/C(=C/4\C=CC=CC4=O)/N2

InChI

InChI=1S/C25H29N3O3/c1-17(2)16-31-25(30)26-19-11-13-28(14-12-19)24-20-8-4-3-7-18(20)15-22(27-24)21-9-5-6-10-23(21)29/h3-10,15,17,19,27H,11-14,16H2,1-2H3,(H,26,30)/b22-21-