tert-butyl 3-[[6-chloranyl-3-oxidanylidene-4-[(1R)-1-phenylethyl]pyrazin-2-yl]methyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[[6-chloranyl-3-oxidanylidene-4-[(1R)-1-phenylethyl]pyrazin-2-yl]methyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[[6-chloro-3-oxo-4-[(1R)-1-phenylethyl]pyrazin-2-yl]methyl]indole-1-carboxylate CAS Name: 3-[[6-chloro-3-oxo-4-[(1R)-1-phenylethyl]-2-pyrazinyl]methyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-chloro-3-oxo-4-[(1R)-1-phenylethyl]pyrazin-2-yl]methyl]indole-1-carboxylate Traditional Name: 3-[[6-chloro-3-keto-4-[(1R)-1-phenylethyl]pyrazin-2-yl]methyl]indole-1-carboxylic acid tert-butyl ester Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=C(N=C(C2=O)CC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C=C(N=C(C2=O)CC3=CN(C4=CC=CC=C43)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C26H26ClN3O3/c1-17(18-10-6-5-7-11-18)29-16-23(27)28-21(24(29)31)14-19-15-30(25(32)33-26(2,3)4)22-13-9-8-12-20(19)22/h5-13,15-17H,14H2,1-4H3/t17-/m1/s1