[1-[(5-bromanyl-3,6-diethyl-pyrazin-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl] 4-nitrobenzoate

Systemtic Name: [1-[(5-bromanyl-3,6-diethyl-pyrazin-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl] 4-nitrobenzoate Openeye Name: [1-[(5-bromo-3,6-diethyl-pyrazin-2-yl)amino]tetralin-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-[(5-bromo-3,6-diethyl-2-pyrazinyl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl] ester IUPAC Name: [1-[(5-bromo-3,6-diethylpyrazin-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-[(5-bromo-3,6-diethyl-pyrazin-2-yl)amino]tetralin-2-yl] ester Formula: C25H25BrN4O4 MolecularWeight: 525.3944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=N1)Br)CC)NC2C(CCC3=CC=CC=C23)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(N=C(C(=N1)Br)CC)NC2C(CCC3=CC=CC=C23)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25BrN4O4/c1-3-19-23(26)27-20(4-2)24(28-19)29-22-18-8-6-5-7-15(18)11-14-21(22)34-25(31)16-9-12-17(13-10-16)30(32)33/h5-10,12-13,21-22H,3-4,11,14H2,1-2H3,(H,28,29)