tert-butyl 1-[2-[4-(3-methyl-5-oxidanylidene-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[2-[4-(3-methyl-5-oxidanylidene-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)-1-piperazinyl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-keto-2-[4-(5-keto-3-methyl-7H-imidaz[1,5-c]imidazol-6-yl)piperazino]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H34N6O4 MolecularWeight: 494.58596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2N1C(=O)N(C2)N3CCN(CC3)C(=O)CC4C5=CC=CC=C5CCN4C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC=C2N1C(=O)N(C2)N3CCN(CC3)C(=O)CC4C5=CC=CC=C5CCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C26H34N6O4/c1-18-27-16-20-17-31(24(34)32(18)20)29-13-11-28(12-14-29)23(33)15-22-21-8-6-5-7-19(21)9-10-30(22)25(35)36-26(2,3)4/h5-8,16,22H,9-15,17H2,1-4H3