tert-butyl N-[[1-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-yl-carbamate

Systemtic Name: tert-butyl N-[[1-[(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-yl-carbamate Openeye Name: tert-butyl N-isopropyl-N-[[1-[[1-oxo-4-(2-thienyl)phthalazin-2-yl]methyl]-3-piperidyl]methyl]carbamate CAS Name: N-[[1-[(1-oxo-4-thiophen-2-yl-2-phthalazinyl)methyl]-3-piperidinyl]methyl]-N-propan-2-ylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-[(1-oxo-4-thiophen-2-ylphthalazin-2-yl)methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate Traditional Name: N-isopropyl-N-[[1-[[1-keto-4-(2-thienyl)phthalazin-2-yl]methyl]-3-piperidyl]methyl]carbamic acid tert-butyl ester Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1CCCN(C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CC1CCCN(C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H36N4O3S/c1-19(2)30(26(33)34-27(3,4)5)17-20-10-8-14-29(16-20)18-31-25(32)22-12-7-6-11-21(22)24(28-31)23-13-9-15-35-23/h6-7,9,11-13,15,19-20H,8,10,14,16-18H2,1-5H3